USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 695 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 SER OG : rot 130:sc= 0.156 USER MOD Set 1.2: A 17 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 84 LYS NZ :NH3+ -163:sc=-0.00169 (180deg=-0.187) USER MOD Set 2.1: A 20 CYS SG : rot -145:sc= 1.97 USER MOD Set 2.2: A 26 THR OG1 : rot 156:sc= 0.649 USER MOD Set 2.3: A 42 CYS SG : rot 111:sc= -1.55! USER MOD Set 2.4: A 43 CYS SG : rot -96:sc= 0.657! USER MOD Set 2.5: A 46 CYS SG : rot -28:sc= 0.0859 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= -0.0281 (180deg=-0.521) USER MOD Single : A 2 SER OG : rot 143:sc= 0.00261 USER MOD Single : A 5 ASN : amide:sc= -4.8 K(o=-4.8,f=-8.2!) USER MOD Single : A 9 ASN : amide:sc= -1.63 K(o=-1.6,f=-10!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 176:sc= 0.994 (180deg=0.922) USER MOD Single : A 23 CYS SG : rot 21:sc= 0.158 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS :FLIP no HD1:sc= -0.351 F(o=-1.2,f=-0.35) USER MOD Single : A 51 MET CE :methyl 171:sc= 0 (180deg=-0.0606) USER MOD Single : A 52 ASN : amide:sc= -0.305 K(o=-0.3,f=-1) USER MOD Single : A 53 MET CE :methyl -106:sc= -0.324 (180deg=-1.82!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -109:sc= -1.56 (180deg=-2.54) USER MOD Single : A 60 HIS : no HE2:sc= -1.03 K(o=-1,f=-2.6) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.0316 X(o=-0.032,f=0) USER MOD Single : A 65 ASN : amide:sc= -2.8! C(o=-2.8!,f=-9!) USER MOD Single : A 70 HIS : no HD1:sc= -4.99! C(o=-5!,f=-5.3!) USER MOD Single : A 74 ASN : amide:sc= -1.56 K(o=-1.6,f=-5.7!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.094 K(o=-0.094,f=-1!) USER MOD Single : A 80 ASN : amide:sc= -0.881 K(o=-0.88,f=-1.9!) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 154:sc= -0.273 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.408 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.711 15.722 -5.967 1.00 0.00 N ATOM 2 CA MET A 1 6.490 14.425 -6.583 1.00 0.00 C ATOM 3 C MET A 1 6.349 13.331 -5.524 1.00 0.00 C ATOM 4 O MET A 1 7.271 12.544 -5.312 1.00 0.00 O ATOM 5 CB MET A 1 7.662 14.092 -7.509 1.00 0.00 C ATOM 6 CG MET A 1 9.000 14.351 -6.813 1.00 0.00 C ATOM 7 SD MET A 1 10.337 13.700 -7.800 1.00 0.00 S ATOM 8 CE MET A 1 10.549 12.107 -7.022 1.00 0.00 C ATOM 0 H1 MET A 1 7.069 16.389 -6.681 1.00 0.00 H new ATOM 0 H2 MET A 1 5.815 16.079 -5.578 1.00 0.00 H new ATOM 0 H3 MET A 1 7.408 15.628 -5.201 1.00 0.00 H new ATOM 0 HA MET A 1 5.564 14.470 -7.156 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.603 13.048 -7.815 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.597 14.694 -8.415 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.138 15.421 -6.659 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.003 13.884 -5.828 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.352 11.563 -7.519 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.801 12.246 -5.971 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.623 11.538 -7.100 1.00 0.00 H new ATOM 16 N SER A 2 5.189 13.316 -4.885 1.00 0.00 N ATOM 17 CA SER A 2 4.916 12.331 -3.852 1.00 0.00 C ATOM 18 C SER A 2 3.518 11.741 -4.048 1.00 0.00 C ATOM 19 O SER A 2 2.526 12.469 -4.047 1.00 0.00 O ATOM 20 CB SER A 2 5.040 12.948 -2.456 1.00 0.00 C ATOM 21 OG SER A 2 4.461 14.248 -2.394 1.00 0.00 O ATOM 0 H SER A 2 4.427 13.970 -5.062 1.00 0.00 H new ATOM 0 HA SER A 2 5.655 11.534 -3.935 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.553 12.299 -1.728 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.092 13.006 -2.177 1.00 0.00 H new ATOM 0 HG SER A 2 4.030 14.373 -1.523 1.00 0.00 H new ATOM 26 N GLU A 3 3.483 10.427 -4.212 1.00 0.00 N ATOM 27 CA GLU A 3 2.223 9.730 -4.410 1.00 0.00 C ATOM 28 C GLU A 3 2.268 8.354 -3.742 1.00 0.00 C ATOM 29 O GLU A 3 3.175 7.564 -3.999 1.00 0.00 O ATOM 30 CB GLU A 3 1.892 9.607 -5.898 1.00 0.00 C ATOM 31 CG GLU A 3 2.876 8.671 -6.603 1.00 0.00 C ATOM 32 CD GLU A 3 2.582 8.594 -8.102 1.00 0.00 C ATOM 33 OE1 GLU A 3 1.908 7.657 -8.555 1.00 0.00 O ATOM 34 OE2 GLU A 3 3.080 9.554 -8.806 1.00 0.00 O ATOM 0 H GLU A 3 4.307 9.826 -4.212 1.00 0.00 H new ATOM 0 HA GLU A 3 1.430 10.314 -3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 3 0.876 9.230 -6.018 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.924 10.592 -6.364 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.895 9.024 -6.446 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.813 7.675 -6.165 1.00 0.00 H new ATOM 40 N VAL A 4 1.276 8.110 -2.898 1.00 0.00 N ATOM 41 CA VAL A 4 1.190 6.842 -2.191 1.00 0.00 C ATOM 42 C VAL A 4 -0.065 6.094 -2.646 1.00 0.00 C ATOM 43 O VAL A 4 -1.183 6.564 -2.434 1.00 0.00 O ATOM 44 CB VAL A 4 1.229 7.082 -0.681 1.00 0.00 C ATOM 45 CG1 VAL A 4 0.206 6.202 0.041 1.00 0.00 C ATOM 46 CG2 VAL A 4 2.637 6.854 -0.126 1.00 0.00 C ATOM 0 H VAL A 4 0.525 8.768 -2.688 1.00 0.00 H new ATOM 0 HA VAL A 4 2.048 6.212 -2.429 1.00 0.00 H new ATOM 0 HB VAL A 4 0.962 8.123 -0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.255 6.392 1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.795 6.433 -0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.429 5.152 -0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.637 7.031 0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.945 5.827 -0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.333 7.541 -0.607 1.00 0.00 H new ATOM 56 N ASN A 5 0.161 4.943 -3.261 1.00 0.00 N ATOM 57 CA ASN A 5 -0.937 4.125 -3.746 1.00 0.00 C ATOM 58 C ASN A 5 -0.700 2.668 -3.343 1.00 0.00 C ATOM 59 O ASN A 5 0.337 2.092 -3.667 1.00 0.00 O ATOM 60 CB ASN A 5 -1.034 4.183 -5.271 1.00 0.00 C ATOM 61 CG ASN A 5 0.356 4.234 -5.908 1.00 0.00 C ATOM 62 OD1 ASN A 5 1.359 3.898 -5.299 1.00 0.00 O ATOM 63 ND2 ASN A 5 0.360 4.671 -7.165 1.00 0.00 N ATOM 0 H ASN A 5 1.089 4.557 -3.435 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.860 4.507 -3.310 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -1.574 3.310 -5.638 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -1.607 5.061 -5.569 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.239 4.741 -7.678 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -0.516 4.936 -7.616 1.00 0.00 H new ATOM 69 N ILE A 6 -1.678 2.115 -2.640 1.00 0.00 N ATOM 70 CA ILE A 6 -1.589 0.737 -2.190 1.00 0.00 C ATOM 71 C ILE A 6 -2.957 0.068 -2.334 1.00 0.00 C ATOM 72 O ILE A 6 -3.985 0.679 -2.042 1.00 0.00 O ATOM 73 CB ILE A 6 -1.019 0.673 -0.770 1.00 0.00 C ATOM 74 CG1 ILE A 6 -0.424 -0.706 -0.480 1.00 0.00 C ATOM 75 CG2 ILE A 6 -2.076 1.072 0.262 1.00 0.00 C ATOM 76 CD1 ILE A 6 -1.491 -1.661 0.059 1.00 0.00 C ATOM 0 H ILE A 6 -2.536 2.597 -2.371 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.893 0.177 -2.814 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.206 1.395 -0.694 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.011 -1.117 -1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.385 -0.612 0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.646 1.018 1.262 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.411 2.090 0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.925 0.392 0.195 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.042 -2.634 0.257 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.906 -1.258 0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.286 -1.772 -0.678 1.00 0.00 H new ATOM 87 N VAL A 7 -2.927 -1.177 -2.784 1.00 0.00 N ATOM 88 CA VAL A 7 -4.153 -1.936 -2.969 1.00 0.00 C ATOM 89 C VAL A 7 -3.918 -3.388 -2.548 1.00 0.00 C ATOM 90 O VAL A 7 -2.861 -3.955 -2.823 1.00 0.00 O ATOM 91 CB VAL A 7 -4.634 -1.804 -4.416 1.00 0.00 C ATOM 92 CG1 VAL A 7 -3.612 -2.392 -5.391 1.00 0.00 C ATOM 93 CG2 VAL A 7 -6.006 -2.458 -4.598 1.00 0.00 C ATOM 0 H VAL A 7 -2.073 -1.680 -3.026 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.948 -1.539 -2.337 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.736 -0.742 -4.640 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.979 -2.285 -6.412 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.665 -1.862 -5.289 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.463 -3.448 -5.168 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.326 -2.351 -5.635 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.941 -3.516 -4.346 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.730 -1.973 -3.943 1.00 0.00 H new ATOM 103 N VAL A 8 -4.920 -3.947 -1.886 1.00 0.00 N ATOM 104 CA VAL A 8 -4.836 -5.322 -1.422 1.00 0.00 C ATOM 105 C VAL A 8 -6.102 -6.074 -1.839 1.00 0.00 C ATOM 106 O VAL A 8 -7.206 -5.711 -1.434 1.00 0.00 O ATOM 107 CB VAL A 8 -4.591 -5.352 0.087 1.00 0.00 C ATOM 108 CG1 VAL A 8 -3.116 -5.106 0.409 1.00 0.00 C ATOM 109 CG2 VAL A 8 -5.485 -4.340 0.807 1.00 0.00 C ATOM 0 H VAL A 8 -5.794 -3.473 -1.660 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.989 -5.830 -1.884 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.851 -6.347 0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.970 -5.133 1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.507 -5.880 -0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.818 -4.130 0.027 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.291 -4.381 1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.270 -3.337 0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.531 -4.580 0.618 1.00 0.00 H new ATOM 119 N ASN A 9 -5.901 -7.108 -2.641 1.00 0.00 N ATOM 120 CA ASN A 9 -7.013 -7.915 -3.117 1.00 0.00 C ATOM 121 C ASN A 9 -6.826 -9.359 -2.648 1.00 0.00 C ATOM 122 O ASN A 9 -5.935 -10.060 -3.127 1.00 0.00 O ATOM 123 CB ASN A 9 -7.077 -7.917 -4.645 1.00 0.00 C ATOM 124 CG ASN A 9 -7.242 -6.497 -5.190 1.00 0.00 C ATOM 125 OD1 ASN A 9 -7.014 -5.513 -4.506 1.00 0.00 O ATOM 126 ND2 ASN A 9 -7.649 -6.446 -6.454 1.00 0.00 N ATOM 0 H ASN A 9 -4.984 -7.407 -2.974 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.934 -7.490 -2.719 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.168 -8.362 -5.050 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -7.910 -8.536 -4.977 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.789 -5.544 -6.909 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -7.822 -7.309 -6.969 1.00 0.00 H new ATOM 132 N GLY A 10 -7.680 -9.761 -1.719 1.00 0.00 N ATOM 133 CA GLY A 10 -7.620 -11.110 -1.181 1.00 0.00 C ATOM 134 C GLY A 10 -6.261 -11.382 -0.535 1.00 0.00 C ATOM 135 O GLY A 10 -5.584 -12.348 -0.887 1.00 0.00 O ATOM 0 H GLY A 10 -8.417 -9.177 -1.325 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.411 -11.247 -0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.799 -11.832 -1.978 1.00 0.00 H new ATOM 139 N ARG A 11 -5.901 -10.516 0.400 1.00 0.00 N ATOM 140 CA ARG A 11 -4.634 -10.651 1.098 1.00 0.00 C ATOM 141 C ARG A 11 -3.543 -11.121 0.134 1.00 0.00 C ATOM 142 O ARG A 11 -2.948 -12.178 0.332 1.00 0.00 O ATOM 143 CB ARG A 11 -4.746 -11.648 2.255 1.00 0.00 C ATOM 144 CG ARG A 11 -5.645 -11.100 3.365 1.00 0.00 C ATOM 145 CD ARG A 11 -5.043 -11.376 4.744 1.00 0.00 C ATOM 146 NE ARG A 11 -5.929 -10.836 5.800 1.00 0.00 N ATOM 147 CZ ARG A 11 -6.952 -11.520 6.353 1.00 0.00 C ATOM 148 NH1 ARG A 11 -7.229 -12.779 5.953 1.00 0.00 N ATOM 149 NH2 ARG A 11 -7.678 -10.939 7.289 1.00 0.00 N ATOM 0 H ARG A 11 -6.465 -9.717 0.691 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.371 -9.672 1.500 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.149 -12.592 1.889 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.754 -11.859 2.656 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.781 -10.027 3.232 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.632 -11.557 3.297 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.909 -12.449 4.883 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.056 -10.919 4.817 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.755 -9.887 6.130 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.663 -13.220 5.228 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.004 -13.290 6.376 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.462 -9.987 7.584 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.455 -11.442 7.717 1.00 0.00 H new ATOM 159 N GLU A 12 -3.315 -10.311 -0.890 1.00 0.00 N ATOM 160 CA GLU A 12 -2.306 -10.630 -1.885 1.00 0.00 C ATOM 161 C GLU A 12 -0.984 -9.942 -1.541 1.00 0.00 C ATOM 162 O GLU A 12 -0.931 -8.721 -1.405 1.00 0.00 O ATOM 163 CB GLU A 12 -2.777 -10.239 -3.288 1.00 0.00 C ATOM 164 CG GLU A 12 -1.902 -10.889 -4.361 1.00 0.00 C ATOM 165 CD GLU A 12 -1.088 -9.836 -5.116 1.00 0.00 C ATOM 166 OE1 GLU A 12 -0.748 -8.789 -4.545 1.00 0.00 O ATOM 167 OE2 GLU A 12 -0.808 -10.136 -6.339 1.00 0.00 O ATOM 0 H GLU A 12 -3.812 -9.435 -1.052 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.145 -11.708 -1.877 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.814 -10.544 -3.425 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.747 -9.155 -3.397 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.229 -11.611 -3.898 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.529 -11.441 -5.062 1.00 0.00 H new ATOM 173 N ALA A 13 0.053 -10.757 -1.410 1.00 0.00 N ATOM 174 CA ALA A 13 1.372 -10.242 -1.084 1.00 0.00 C ATOM 175 C ALA A 13 2.402 -10.848 -2.040 1.00 0.00 C ATOM 176 O ALA A 13 2.143 -11.873 -2.669 1.00 0.00 O ATOM 177 CB ALA A 13 1.690 -10.544 0.382 1.00 0.00 C ATOM 0 H ALA A 13 0.006 -11.770 -1.524 1.00 0.00 H new ATOM 0 HA ALA A 13 1.403 -9.160 -1.208 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.679 -10.158 0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.946 -10.068 1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.671 -11.622 0.544 1.00 0.00 H new ATOM 183 N GLY A 14 3.549 -10.190 -2.118 1.00 0.00 N ATOM 184 CA GLY A 14 4.619 -10.651 -2.986 1.00 0.00 C ATOM 185 C GLY A 14 5.781 -9.656 -2.999 1.00 0.00 C ATOM 186 O GLY A 14 6.326 -9.346 -4.058 1.00 0.00 O ATOM 0 H GLY A 14 3.761 -9.341 -1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.973 -11.625 -2.647 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.239 -10.785 -3.999 1.00 0.00 H new ATOM 190 N SER A 15 6.128 -9.184 -1.810 1.00 0.00 N ATOM 191 CA SER A 15 7.216 -8.231 -1.672 1.00 0.00 C ATOM 192 C SER A 15 7.794 -8.299 -0.258 1.00 0.00 C ATOM 193 O SER A 15 7.328 -9.079 0.571 1.00 0.00 O ATOM 194 CB SER A 15 6.746 -6.809 -1.986 1.00 0.00 C ATOM 195 OG SER A 15 6.674 -6.000 -0.815 1.00 0.00 O ATOM 0 H SER A 15 5.675 -9.444 -0.934 1.00 0.00 H new ATOM 0 HA SER A 15 7.994 -8.494 -2.389 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.429 -6.351 -2.702 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.766 -6.848 -2.461 1.00 0.00 H new ATOM 0 HG SER A 15 7.146 -5.155 -0.971 1.00 0.00 H new ATOM 200 N LYS A 16 8.801 -7.470 -0.024 1.00 0.00 N ATOM 201 CA LYS A 16 9.448 -7.427 1.276 1.00 0.00 C ATOM 202 C LYS A 16 8.616 -6.563 2.226 1.00 0.00 C ATOM 203 O LYS A 16 9.063 -6.233 3.324 1.00 0.00 O ATOM 204 CB LYS A 16 10.900 -6.964 1.138 1.00 0.00 C ATOM 205 CG LYS A 16 11.590 -7.670 -0.032 1.00 0.00 C ATOM 206 CD LYS A 16 12.782 -8.498 0.454 1.00 0.00 C ATOM 207 CE LYS A 16 12.364 -9.939 0.750 1.00 0.00 C ATOM 208 NZ LYS A 16 13.017 -10.423 1.988 1.00 0.00 N ATOM 0 H LYS A 16 9.184 -6.823 -0.713 1.00 0.00 H new ATOM 0 HA LYS A 16 9.496 -8.426 1.710 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.929 -5.885 0.985 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.441 -7.169 2.062 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.877 -8.317 -0.543 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.928 -6.932 -0.759 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.567 -8.491 -0.303 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.202 -8.045 1.352 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.281 -9.995 0.857 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.635 -10.582 -0.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.723 -11.403 2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.050 -10.388 1.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.737 -9.819 2.787 1.00 0.00 H new ATOM 217 N SER A 17 7.421 -6.220 1.769 1.00 0.00 N ATOM 218 CA SER A 17 6.522 -5.401 2.565 1.00 0.00 C ATOM 219 C SER A 17 5.709 -6.286 3.513 1.00 0.00 C ATOM 220 O SER A 17 4.718 -5.837 4.088 1.00 0.00 O ATOM 221 CB SER A 17 5.589 -4.580 1.672 1.00 0.00 C ATOM 222 OG SER A 17 4.356 -5.254 1.426 1.00 0.00 O ATOM 0 H SER A 17 7.054 -6.494 0.858 1.00 0.00 H new ATOM 0 HA SER A 17 7.122 -4.706 3.153 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.389 -3.618 2.144 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.084 -4.373 0.724 1.00 0.00 H new ATOM 0 HG SER A 17 3.787 -4.697 0.854 1.00 0.00 H new ATOM 227 N LYS A 18 6.157 -7.525 3.644 1.00 0.00 N ATOM 228 CA LYS A 18 5.483 -8.476 4.513 1.00 0.00 C ATOM 229 C LYS A 18 6.091 -8.401 5.914 1.00 0.00 C ATOM 230 O LYS A 18 5.462 -8.805 6.891 1.00 0.00 O ATOM 231 CB LYS A 18 5.517 -9.878 3.901 1.00 0.00 C ATOM 232 CG LYS A 18 4.141 -10.277 3.366 1.00 0.00 C ATOM 233 CD LYS A 18 3.175 -10.586 4.511 1.00 0.00 C ATOM 234 CE LYS A 18 2.363 -9.346 4.893 1.00 0.00 C ATOM 235 NZ LYS A 18 0.927 -9.682 5.006 1.00 0.00 N ATOM 0 H LYS A 18 6.978 -7.893 3.164 1.00 0.00 H new ATOM 0 HA LYS A 18 4.428 -8.221 4.610 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.248 -9.908 3.093 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.842 -10.598 4.652 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.738 -9.471 2.753 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.237 -11.150 2.721 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.501 -11.390 4.216 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.734 -10.940 5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.724 -8.945 5.840 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.502 -8.567 4.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.400 -8.847 5.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.566 -9.979 4.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.804 -10.457 5.689 1.00 0.00 H new ATOM 244 N GLY A 19 7.309 -7.881 5.969 1.00 0.00 N ATOM 245 CA GLY A 19 8.010 -7.748 7.235 1.00 0.00 C ATOM 246 C GLY A 19 7.664 -6.423 7.917 1.00 0.00 C ATOM 247 O GLY A 19 6.495 -6.047 7.995 1.00 0.00 O ATOM 0 H GLY A 19 7.828 -7.547 5.157 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.746 -8.578 7.890 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.085 -7.805 7.067 1.00 0.00 H new ATOM 251 N CYS A 20 8.702 -5.750 8.392 1.00 0.00 N ATOM 252 CA CYS A 20 8.522 -4.475 9.065 1.00 0.00 C ATOM 253 C CYS A 20 8.833 -3.358 8.066 1.00 0.00 C ATOM 254 O CYS A 20 9.375 -3.613 6.992 1.00 0.00 O ATOM 255 CB CYS A 20 9.386 -4.372 10.323 1.00 0.00 C ATOM 256 SG CYS A 20 9.320 -5.944 11.257 1.00 0.00 S ATOM 0 H CYS A 20 9.670 -6.064 8.324 1.00 0.00 H new ATOM 0 HA CYS A 20 7.490 -4.382 9.404 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.416 -4.145 10.049 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.035 -3.552 10.949 1.00 0.00 H new ATOM 0 HG CYS A 20 9.358 -5.693 12.532 1.00 0.00 H new ATOM 261 N ALA A 21 8.478 -2.142 8.457 1.00 0.00 N ATOM 262 CA ALA A 21 8.713 -0.985 7.610 1.00 0.00 C ATOM 263 C ALA A 21 10.218 -0.735 7.500 1.00 0.00 C ATOM 264 O ALA A 21 10.728 -0.461 6.416 1.00 0.00 O ATOM 265 CB ALA A 21 7.960 0.222 8.175 1.00 0.00 C ATOM 0 H ALA A 21 8.029 -1.933 9.349 1.00 0.00 H new ATOM 0 HA ALA A 21 8.335 -1.163 6.603 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.136 1.090 7.540 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.892 0.004 8.204 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.315 0.432 9.184 1.00 0.00 H new ATOM 271 N LEU A 22 10.887 -0.839 8.639 1.00 0.00 N ATOM 272 CA LEU A 22 12.324 -0.628 8.686 1.00 0.00 C ATOM 273 C LEU A 22 13.014 -1.648 7.779 1.00 0.00 C ATOM 274 O LEU A 22 13.708 -1.275 6.834 1.00 0.00 O ATOM 275 CB LEU A 22 12.823 -0.653 10.131 1.00 0.00 C ATOM 276 CG LEU A 22 14.252 -1.158 10.339 1.00 0.00 C ATOM 277 CD1 LEU A 22 15.059 -0.183 11.198 1.00 0.00 C ATOM 278 CD2 LEU A 22 14.255 -2.573 10.922 1.00 0.00 C ATOM 0 H LEU A 22 10.460 -1.067 9.537 1.00 0.00 H new ATOM 0 HA LEU A 22 12.576 0.361 8.304 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.753 0.357 10.536 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.149 -1.279 10.716 1.00 0.00 H new ATOM 0 HG LEU A 22 14.740 -1.210 9.366 1.00 0.00 H new ATOM 0 HD11 LEU A 22 16.071 -0.566 11.330 1.00 0.00 H new ATOM 0 HD12 LEU A 22 15.100 0.788 10.705 1.00 0.00 H new ATOM 0 HD13 LEU A 22 14.582 -0.075 12.172 1.00 0.00 H new ATOM 0 HD21 LEU A 22 15.283 -2.908 11.060 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.742 -2.571 11.884 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.742 -3.249 10.238 1.00 0.00 H new ATOM 289 N CYS A 23 12.800 -2.916 8.098 1.00 0.00 N ATOM 290 CA CYS A 23 13.393 -3.994 7.324 1.00 0.00 C ATOM 291 C CYS A 23 12.352 -5.103 7.168 1.00 0.00 C ATOM 292 O CYS A 23 11.258 -5.016 7.726 1.00 0.00 O ATOM 293 CB CYS A 23 14.683 -4.507 7.966 1.00 0.00 C ATOM 294 SG CYS A 23 16.086 -3.426 7.505 1.00 0.00 S ATOM 0 H CYS A 23 12.224 -3.221 8.882 1.00 0.00 H new ATOM 0 HA CYS A 23 13.677 -3.624 6.339 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.574 -4.532 9.050 1.00 0.00 H new ATOM 0 HB3 CYS A 23 14.879 -5.529 7.641 1.00 0.00 H new ATOM 0 HG CYS A 23 15.635 -2.268 7.125 1.00 0.00 H new ATOM 299 N GLY A 24 12.727 -6.121 6.409 1.00 0.00 N ATOM 300 CA GLY A 24 11.839 -7.247 6.173 1.00 0.00 C ATOM 301 C GLY A 24 12.458 -8.550 6.682 1.00 0.00 C ATOM 302 O GLY A 24 13.214 -9.204 5.966 1.00 0.00 O ATOM 0 H GLY A 24 13.635 -6.190 5.949 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.886 -7.074 6.672 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.629 -7.332 5.107 1.00 0.00 H new ATOM 306 N ALA A 25 12.115 -8.888 7.917 1.00 0.00 N ATOM 307 CA ALA A 25 12.628 -10.102 8.530 1.00 0.00 C ATOM 308 C ALA A 25 11.493 -11.117 8.668 1.00 0.00 C ATOM 309 O ALA A 25 11.688 -12.308 8.433 1.00 0.00 O ATOM 310 CB ALA A 25 13.272 -9.760 9.875 1.00 0.00 C ATOM 0 H ALA A 25 11.489 -8.343 8.509 1.00 0.00 H new ATOM 0 HA ALA A 25 13.398 -10.553 7.904 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.657 -10.670 10.336 1.00 0.00 H new ATOM 0 HB2 ALA A 25 14.091 -9.058 9.718 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.527 -9.308 10.531 1.00 0.00 H new ATOM 316 N THR A 26 10.329 -10.609 9.050 1.00 0.00 N ATOM 317 CA THR A 26 9.163 -11.457 9.222 1.00 0.00 C ATOM 318 C THR A 26 8.377 -11.556 7.912 1.00 0.00 C ATOM 319 O THR A 26 8.717 -10.899 6.929 1.00 0.00 O ATOM 320 CB THR A 26 8.339 -10.896 10.383 1.00 0.00 C ATOM 321 OG1 THR A 26 8.441 -9.483 10.232 1.00 0.00 O ATOM 322 CG2 THR A 26 8.980 -11.173 11.743 1.00 0.00 C ATOM 0 H THR A 26 10.170 -9.621 9.245 1.00 0.00 H new ATOM 0 HA THR A 26 9.450 -12.479 9.470 1.00 0.00 H new ATOM 0 HB THR A 26 7.338 -11.328 10.359 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.669 -9.052 10.655 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.355 -10.754 12.532 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.075 -12.249 11.888 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.968 -10.714 11.780 1.00 0.00 H new ATOM 330 N TRP A 27 7.343 -12.384 7.941 1.00 0.00 N ATOM 331 CA TRP A 27 6.507 -12.578 6.769 1.00 0.00 C ATOM 332 C TRP A 27 5.225 -13.285 7.214 1.00 0.00 C ATOM 333 O TRP A 27 5.164 -13.831 8.314 1.00 0.00 O ATOM 334 CB TRP A 27 7.262 -13.340 5.678 1.00 0.00 C ATOM 335 CG TRP A 27 7.755 -14.722 6.110 1.00 0.00 C ATOM 336 CD1 TRP A 27 7.694 -15.275 7.329 1.00 0.00 C ATOM 337 CD2 TRP A 27 8.391 -15.709 5.272 1.00 0.00 C ATOM 338 NE1 TRP A 27 8.241 -16.541 7.339 1.00 0.00 N ATOM 339 CE2 TRP A 27 8.680 -16.814 6.047 1.00 0.00 C ATOM 340 CE3 TRP A 27 8.713 -15.670 3.904 1.00 0.00 C ATOM 341 CZ2 TRP A 27 9.302 -17.962 5.544 1.00 0.00 C ATOM 342 CZ3 TRP A 27 9.336 -16.825 3.417 1.00 0.00 C ATOM 343 CH2 TRP A 27 9.632 -17.946 4.184 1.00 0.00 C ATOM 0 H TRP A 27 7.065 -12.928 8.758 1.00 0.00 H new ATOM 0 HA TRP A 27 6.239 -11.620 6.323 1.00 0.00 H new ATOM 0 HB2 TRP A 27 6.611 -13.453 4.811 1.00 0.00 H new ATOM 0 HB3 TRP A 27 8.117 -12.744 5.359 1.00 0.00 H new ATOM 0 HD1 TRP A 27 7.269 -14.790 8.196 1.00 0.00 H new ATOM 0 HE1 TRP A 27 8.311 -17.163 8.145 1.00 0.00 H new ATOM 0 HE3 TRP A 27 8.497 -14.817 3.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 9.516 -18.815 6.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 9.606 -16.847 2.371 1.00 0.00 H new ATOM 0 HH2 TRP A 27 10.114 -18.800 3.733 1.00 0.00 H new ATOM 353 N GLY A 28 4.234 -13.252 6.335 1.00 0.00 N ATOM 354 CA GLY A 28 2.957 -13.882 6.623 1.00 0.00 C ATOM 355 C GLY A 28 1.798 -13.061 6.056 1.00 0.00 C ATOM 356 O GLY A 28 1.732 -11.850 6.264 1.00 0.00 O ATOM 0 H GLY A 28 4.290 -12.799 5.423 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.939 -14.885 6.197 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.837 -13.991 7.701 1.00 0.00 H new ATOM 360 N ASP A 29 0.915 -13.751 5.350 1.00 0.00 N ATOM 361 CA ASP A 29 -0.237 -13.100 4.751 1.00 0.00 C ATOM 362 C ASP A 29 -1.374 -13.043 5.773 1.00 0.00 C ATOM 363 O ASP A 29 -2.425 -12.460 5.507 1.00 0.00 O ATOM 364 CB ASP A 29 -0.737 -13.877 3.531 1.00 0.00 C ATOM 365 CG ASP A 29 0.245 -14.913 2.979 1.00 0.00 C ATOM 366 OD1 ASP A 29 1.444 -14.637 2.821 1.00 0.00 O ATOM 367 OD2 ASP A 29 -0.274 -16.062 2.702 1.00 0.00 O ATOM 0 H ASP A 29 0.974 -14.755 5.179 1.00 0.00 H new ATOM 0 HA ASP A 29 0.065 -12.099 4.442 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.665 -14.383 3.796 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.976 -13.167 2.739 1.00 0.00 H new ATOM 372 N TYR A 30 -1.127 -13.657 6.921 1.00 0.00 N ATOM 373 CA TYR A 30 -2.117 -13.683 7.985 1.00 0.00 C ATOM 374 C TYR A 30 -2.074 -12.394 8.807 1.00 0.00 C ATOM 375 O TYR A 30 -2.843 -12.230 9.751 1.00 0.00 O ATOM 376 CB TYR A 30 -1.737 -14.862 8.884 1.00 0.00 C ATOM 377 CG TYR A 30 -2.070 -16.232 8.290 1.00 0.00 C ATOM 378 CD1 TYR A 30 -1.384 -16.688 7.182 1.00 0.00 C ATOM 379 CD2 TYR A 30 -3.055 -17.010 8.861 1.00 0.00 C ATOM 380 CE1 TYR A 30 -1.697 -17.977 6.622 1.00 0.00 C ATOM 381 CE2 TYR A 30 -3.368 -18.299 8.300 1.00 0.00 C ATOM 382 CZ TYR A 30 -2.673 -18.719 7.209 1.00 0.00 C ATOM 383 OH TYR A 30 -2.969 -19.937 6.680 1.00 0.00 O ATOM 0 H TYR A 30 -0.255 -14.140 7.138 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.122 -13.778 7.573 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.668 -14.818 9.091 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.251 -14.757 9.839 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.613 -16.078 6.735 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.591 -16.653 9.728 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.168 -18.346 5.755 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.138 -18.918 8.736 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.685 -20.355 7.202 1.00 0.00 H new ATOM 392 N HIS A 31 -1.165 -11.513 8.417 1.00 0.00 N ATOM 393 CA HIS A 31 -1.010 -10.242 9.106 1.00 0.00 C ATOM 394 C HIS A 31 -1.765 -9.150 8.346 1.00 0.00 C ATOM 395 O HIS A 31 -2.372 -9.417 7.310 1.00 0.00 O ATOM 396 CB HIS A 31 0.469 -9.910 9.309 1.00 0.00 C ATOM 397 CG HIS A 31 1.284 -11.050 9.871 1.00 0.00 C ATOM 398 ND1 HIS A 31 1.393 -12.350 9.472 1.00 0.00 N flip ATOM 399 CD2 HIS A 31 2.105 -10.911 10.976 1.00 0.00 C flip ATOM 400 CE1 HIS A 31 2.237 -12.970 10.287 1.00 0.00 C flip ATOM 401 NE2 HIS A 31 2.680 -12.080 11.221 1.00 0.00 N flip ATOM 0 H HIS A 31 -0.528 -11.654 7.633 1.00 0.00 H new ATOM 0 HA HIS A 31 -1.446 -10.310 10.103 1.00 0.00 H new ATOM 0 HB2 HIS A 31 0.897 -9.608 8.353 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.550 -9.054 9.979 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.252 -10.004 11.543 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.526 -14.009 10.222 1.00 0.00 H new ATOM 0 HE2 HIS A 31 3.338 -12.279 11.975 1.00 0.00 H new ATOM 408 N ALA A 32 -1.702 -7.944 8.889 1.00 0.00 N ATOM 409 CA ALA A 32 -2.370 -6.811 8.274 1.00 0.00 C ATOM 410 C ALA A 32 -1.323 -5.812 7.779 1.00 0.00 C ATOM 411 O ALA A 32 -0.470 -5.370 8.547 1.00 0.00 O ATOM 412 CB ALA A 32 -3.344 -6.186 9.277 1.00 0.00 C ATOM 0 H ALA A 32 -1.198 -7.727 9.749 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.952 -7.132 7.410 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.846 -5.335 8.815 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.086 -6.927 9.574 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.795 -5.850 10.156 1.00 0.00 H new ATOM 418 N ASP A 33 -1.422 -5.485 6.498 1.00 0.00 N ATOM 419 CA ASP A 33 -0.492 -4.547 5.892 1.00 0.00 C ATOM 420 C ASP A 33 -1.042 -3.126 6.037 1.00 0.00 C ATOM 421 O ASP A 33 -2.237 -2.939 6.257 1.00 0.00 O ATOM 422 CB ASP A 33 -0.315 -4.834 4.400 1.00 0.00 C ATOM 423 CG ASP A 33 0.221 -3.663 3.575 1.00 0.00 C ATOM 424 OD1 ASP A 33 -0.464 -2.647 3.386 1.00 0.00 O ATOM 425 OD2 ASP A 33 1.414 -3.825 3.109 1.00 0.00 O ATOM 0 H ASP A 33 -2.131 -5.853 5.864 1.00 0.00 H new ATOM 0 HA ASP A 33 0.469 -4.651 6.396 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.363 -5.680 4.286 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.277 -5.139 3.988 1.00 0.00 H new ATOM 430 N PHE A 34 -0.141 -2.162 5.908 1.00 0.00 N ATOM 431 CA PHE A 34 -0.522 -0.764 6.022 1.00 0.00 C ATOM 432 C PHE A 34 -0.168 0.006 4.749 1.00 0.00 C ATOM 433 O PHE A 34 0.487 -0.531 3.856 1.00 0.00 O ATOM 434 CB PHE A 34 0.271 -0.180 7.194 1.00 0.00 C ATOM 435 CG PHE A 34 -0.603 0.386 8.315 1.00 0.00 C ATOM 436 CD1 PHE A 34 -1.679 -0.316 8.759 1.00 0.00 C ATOM 437 CD2 PHE A 34 -0.304 1.592 8.868 1.00 0.00 C ATOM 438 CE1 PHE A 34 -2.490 0.209 9.800 1.00 0.00 C ATOM 439 CE2 PHE A 34 -1.115 2.117 9.908 1.00 0.00 C ATOM 440 CZ PHE A 34 -2.190 1.415 10.352 1.00 0.00 C ATOM 0 H PHE A 34 0.850 -2.321 5.726 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.598 -0.682 6.176 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.915 -0.956 7.606 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.923 0.610 6.821 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.917 -1.274 8.320 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.551 2.150 8.516 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.344 -0.349 10.153 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.877 3.075 10.346 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.806 1.815 11.144 1.00 0.00 H new ATOM 449 N LEU A 35 -0.617 1.252 4.704 1.00 0.00 N ATOM 450 CA LEU A 35 -0.356 2.101 3.554 1.00 0.00 C ATOM 451 C LEU A 35 1.152 2.319 3.419 1.00 0.00 C ATOM 452 O LEU A 35 1.656 2.527 2.316 1.00 0.00 O ATOM 453 CB LEU A 35 -1.159 3.399 3.654 1.00 0.00 C ATOM 454 CG LEU A 35 -2.532 3.392 2.980 1.00 0.00 C ATOM 455 CD1 LEU A 35 -3.366 2.198 3.448 1.00 0.00 C ATOM 456 CD2 LEU A 35 -3.259 4.719 3.201 1.00 0.00 C ATOM 0 H LEU A 35 -1.160 1.694 5.446 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.691 1.616 2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.295 3.638 4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.567 4.204 3.219 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.384 3.281 1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.337 2.217 2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.849 1.272 3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.507 2.253 4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.232 4.687 2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.396 4.885 4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.668 5.532 2.780 1.00 0.00 H new ATOM 467 N GLY A 36 1.831 2.264 4.556 1.00 0.00 N ATOM 468 CA GLY A 36 3.271 2.453 4.578 1.00 0.00 C ATOM 469 C GLY A 36 3.986 1.302 3.868 1.00 0.00 C ATOM 470 O GLY A 36 5.187 1.377 3.610 1.00 0.00 O ATOM 0 H GLY A 36 1.410 2.091 5.469 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.525 3.397 4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.617 2.520 5.610 1.00 0.00 H new ATOM 474 N GLU A 37 3.218 0.265 3.571 1.00 0.00 N ATOM 475 CA GLU A 37 3.764 -0.901 2.895 1.00 0.00 C ATOM 476 C GLU A 37 4.690 -1.675 3.835 1.00 0.00 C ATOM 477 O GLU A 37 5.827 -1.979 3.481 1.00 0.00 O ATOM 478 CB GLU A 37 4.496 -0.499 1.613 1.00 0.00 C ATOM 479 CG GLU A 37 4.138 -1.436 0.458 1.00 0.00 C ATOM 480 CD GLU A 37 5.308 -1.579 -0.516 1.00 0.00 C ATOM 481 OE1 GLU A 37 5.900 -2.664 -0.620 1.00 0.00 O ATOM 482 OE2 GLU A 37 5.598 -0.512 -1.180 1.00 0.00 O ATOM 0 H GLU A 37 2.222 0.207 3.785 1.00 0.00 H new ATOM 0 HA GLU A 37 2.937 -1.553 2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.236 0.526 1.348 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.572 -0.521 1.783 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.866 -2.416 0.851 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.266 -1.051 -0.070 1.00 0.00 H new ATOM 488 N ASP A 38 4.167 -1.973 5.016 1.00 0.00 N ATOM 489 CA ASP A 38 4.932 -2.705 6.010 1.00 0.00 C ATOM 490 C ASP A 38 3.978 -3.532 6.875 1.00 0.00 C ATOM 491 O ASP A 38 2.761 -3.458 6.706 1.00 0.00 O ATOM 492 CB ASP A 38 5.698 -1.752 6.929 1.00 0.00 C ATOM 493 CG ASP A 38 4.821 -0.893 7.843 1.00 0.00 C ATOM 494 OD1 ASP A 38 4.528 -1.271 8.986 1.00 0.00 O ATOM 495 OD2 ASP A 38 4.430 0.224 7.330 1.00 0.00 O ATOM 0 H ASP A 38 3.222 -1.720 5.306 1.00 0.00 H new ATOM 0 HA ASP A 38 5.641 -3.345 5.484 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.379 -2.336 7.548 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.312 -1.093 6.315 1.00 0.00 H new ATOM 500 N LEU A 39 4.566 -4.299 7.780 1.00 0.00 N ATOM 501 CA LEU A 39 3.783 -5.138 8.671 1.00 0.00 C ATOM 502 C LEU A 39 4.232 -4.900 10.114 1.00 0.00 C ATOM 503 O LEU A 39 5.392 -5.129 10.453 1.00 0.00 O ATOM 504 CB LEU A 39 3.863 -6.603 8.236 1.00 0.00 C ATOM 505 CG LEU A 39 2.554 -7.395 8.303 1.00 0.00 C ATOM 506 CD1 LEU A 39 1.787 -7.078 9.587 1.00 0.00 C ATOM 507 CD2 LEU A 39 1.705 -7.155 7.053 1.00 0.00 C ATOM 0 H LEU A 39 5.575 -4.357 7.916 1.00 0.00 H new ATOM 0 HA LEU A 39 2.728 -4.870 8.616 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.234 -6.638 7.211 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.602 -7.107 8.859 1.00 0.00 H new ATOM 0 HG LEU A 39 2.797 -8.457 8.328 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.862 -7.653 9.610 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.399 -7.340 10.450 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.553 -6.014 9.618 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.781 -7.729 7.125 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.468 -6.094 6.972 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.260 -7.471 6.170 1.00 0.00 H new ATOM 518 N PHE A 40 3.290 -4.444 10.927 1.00 0.00 N ATOM 519 CA PHE A 40 3.574 -4.173 12.326 1.00 0.00 C ATOM 520 C PHE A 40 2.981 -5.258 13.227 1.00 0.00 C ATOM 521 O PHE A 40 3.421 -5.437 14.360 1.00 0.00 O ATOM 522 CB PHE A 40 2.919 -2.832 12.663 1.00 0.00 C ATOM 523 CG PHE A 40 1.397 -2.825 12.502 1.00 0.00 C ATOM 524 CD1 PHE A 40 0.605 -3.281 13.509 1.00 0.00 C ATOM 525 CD2 PHE A 40 0.837 -2.364 11.352 1.00 0.00 C ATOM 526 CE1 PHE A 40 -0.808 -3.274 13.359 1.00 0.00 C ATOM 527 CE2 PHE A 40 -0.575 -2.357 11.203 1.00 0.00 C ATOM 528 CZ PHE A 40 -1.367 -2.813 12.210 1.00 0.00 C ATOM 0 H PHE A 40 2.329 -4.255 10.643 1.00 0.00 H new ATOM 0 HA PHE A 40 4.651 -4.153 12.490 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.167 -2.566 13.691 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.345 -2.060 12.023 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.050 -3.648 14.422 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.466 -2.003 10.552 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.438 -3.635 14.159 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.020 -1.990 10.290 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.441 -2.809 12.096 1.00 0.00 H new ATOM 537 N PHE A 41 1.991 -5.954 12.687 1.00 0.00 N ATOM 538 CA PHE A 41 1.333 -7.017 13.428 1.00 0.00 C ATOM 539 C PHE A 41 2.303 -8.162 13.720 1.00 0.00 C ATOM 540 O PHE A 41 1.928 -9.156 14.341 1.00 0.00 O ATOM 541 CB PHE A 41 0.197 -7.540 12.546 1.00 0.00 C ATOM 542 CG PHE A 41 -0.825 -8.401 13.293 1.00 0.00 C ATOM 543 CD1 PHE A 41 -1.793 -7.810 14.042 1.00 0.00 C ATOM 544 CD2 PHE A 41 -0.764 -9.756 13.206 1.00 0.00 C ATOM 545 CE1 PHE A 41 -2.741 -8.608 14.735 1.00 0.00 C ATOM 546 CE2 PHE A 41 -1.711 -10.555 13.898 1.00 0.00 C ATOM 547 CZ PHE A 41 -2.680 -9.965 14.648 1.00 0.00 C ATOM 0 H PHE A 41 1.629 -5.803 11.746 1.00 0.00 H new ATOM 0 HA PHE A 41 0.966 -6.635 14.381 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.318 -6.692 12.094 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.623 -8.125 11.731 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.841 -6.733 14.110 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.005 -10.225 12.610 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.510 -8.139 15.331 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.662 -11.632 13.829 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.401 -10.573 15.174 1.00 0.00 H new ATOM 556 N CYS A 42 3.534 -7.986 13.261 1.00 0.00 N ATOM 557 CA CYS A 42 4.560 -8.993 13.467 1.00 0.00 C ATOM 558 C CYS A 42 5.425 -8.562 14.653 1.00 0.00 C ATOM 559 O CYS A 42 5.605 -9.324 15.603 1.00 0.00 O ATOM 560 CB CYS A 42 5.395 -9.215 12.204 1.00 0.00 C ATOM 561 SG CYS A 42 5.935 -7.606 11.519 1.00 0.00 S ATOM 0 H CYS A 42 3.843 -7.161 12.747 1.00 0.00 H new ATOM 0 HA CYS A 42 4.092 -9.952 13.689 1.00 0.00 H new ATOM 0 HB2 CYS A 42 6.264 -9.831 12.436 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.809 -9.757 11.462 1.00 0.00 H new ATOM 0 HG CYS A 42 7.221 -7.482 11.664 1.00 0.00 H new ATOM 566 N CYS A 43 5.935 -7.344 14.562 1.00 0.00 N ATOM 567 CA CYS A 43 6.777 -6.803 15.616 1.00 0.00 C ATOM 568 C CYS A 43 6.001 -5.691 16.325 1.00 0.00 C ATOM 569 O CYS A 43 5.920 -5.672 17.554 1.00 0.00 O ATOM 570 CB CYS A 43 8.117 -6.306 15.072 1.00 0.00 C ATOM 571 SG CYS A 43 7.844 -4.923 13.903 1.00 0.00 S ATOM 0 H CYS A 43 5.782 -6.715 13.774 1.00 0.00 H new ATOM 0 HA CYS A 43 7.020 -7.589 16.331 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.753 -5.978 15.894 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.639 -7.120 14.570 1.00 0.00 H new ATOM 0 HG CYS A 43 7.819 -5.381 12.687 1.00 0.00 H new ATOM 576 N ASP A 44 5.450 -4.792 15.524 1.00 0.00 N ATOM 577 CA ASP A 44 4.684 -3.680 16.060 1.00 0.00 C ATOM 578 C ASP A 44 5.542 -2.915 17.068 1.00 0.00 C ATOM 579 O ASP A 44 5.022 -2.146 17.876 1.00 0.00 O ATOM 580 CB ASP A 44 3.431 -4.174 16.786 1.00 0.00 C ATOM 581 CG ASP A 44 2.849 -3.197 17.810 1.00 0.00 C ATOM 582 OD1 ASP A 44 2.239 -2.181 17.449 1.00 0.00 O ATOM 583 OD2 ASP A 44 3.047 -3.520 19.043 1.00 0.00 O ATOM 0 H ASP A 44 5.519 -4.811 14.506 1.00 0.00 H new ATOM 0 HA ASP A 44 4.391 -3.040 15.228 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.665 -4.399 16.044 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.668 -5.109 17.293 1.00 0.00 H new ATOM 588 N ILE A 45 6.844 -3.149 16.988 1.00 0.00 N ATOM 589 CA ILE A 45 7.779 -2.491 17.884 1.00 0.00 C ATOM 590 C ILE A 45 8.501 -1.373 17.129 1.00 0.00 C ATOM 591 O ILE A 45 8.368 -0.200 17.474 1.00 0.00 O ATOM 592 CB ILE A 45 8.725 -3.514 18.517 1.00 0.00 C ATOM 593 CG1 ILE A 45 8.282 -3.862 19.940 1.00 0.00 C ATOM 594 CG2 ILE A 45 10.174 -3.024 18.472 1.00 0.00 C ATOM 595 CD1 ILE A 45 6.953 -4.619 19.930 1.00 0.00 C ATOM 0 H ILE A 45 7.273 -3.785 16.316 1.00 0.00 H new ATOM 0 HA ILE A 45 7.247 -2.025 18.714 1.00 0.00 H new ATOM 0 HB ILE A 45 8.678 -4.431 17.930 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.047 -4.469 20.425 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.180 -2.949 20.527 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.825 -3.770 18.928 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.473 -2.867 17.436 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.258 -2.086 19.020 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.661 -4.854 20.953 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.185 -4.000 19.466 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.065 -5.543 19.363 1.00 0.00 H new ATOM 606 N CYS A 46 9.248 -1.776 16.111 1.00 0.00 N ATOM 607 CA CYS A 46 9.990 -0.822 15.304 1.00 0.00 C ATOM 608 C CYS A 46 9.128 -0.438 14.100 1.00 0.00 C ATOM 609 O CYS A 46 9.439 0.516 13.388 1.00 0.00 O ATOM 610 CB CYS A 46 11.350 -1.379 14.877 1.00 0.00 C ATOM 611 SG CYS A 46 11.118 -2.763 13.701 1.00 0.00 S ATOM 0 H CYS A 46 9.355 -2.750 15.827 1.00 0.00 H new ATOM 0 HA CYS A 46 10.205 0.068 15.895 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.945 -0.592 14.413 1.00 0.00 H new ATOM 0 HB3 CYS A 46 11.902 -1.723 15.752 1.00 0.00 H new ATOM 0 HG CYS A 46 9.980 -3.346 13.936 1.00 0.00 H new ATOM 616 N ALA A 47 8.061 -1.200 13.909 1.00 0.00 N ATOM 617 CA ALA A 47 7.152 -0.951 12.804 1.00 0.00 C ATOM 618 C ALA A 47 5.919 -0.206 13.321 1.00 0.00 C ATOM 619 O ALA A 47 5.731 -0.073 14.528 1.00 0.00 O ATOM 620 CB ALA A 47 6.791 -2.278 12.130 1.00 0.00 C ATOM 0 H ALA A 47 7.806 -1.990 14.501 1.00 0.00 H new ATOM 0 HA ALA A 47 7.627 -0.321 12.052 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.109 -2.091 11.301 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.697 -2.754 11.754 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.310 -2.935 12.855 1.00 0.00 H new ATOM 626 N ALA A 48 5.112 0.262 12.379 1.00 0.00 N ATOM 627 CA ALA A 48 3.903 0.990 12.725 1.00 0.00 C ATOM 628 C ALA A 48 4.266 2.432 13.080 1.00 0.00 C ATOM 629 O ALA A 48 4.093 2.857 14.222 1.00 0.00 O ATOM 630 CB ALA A 48 3.183 0.271 13.867 1.00 0.00 C ATOM 0 H ALA A 48 5.272 0.151 11.378 1.00 0.00 H new ATOM 0 HA ALA A 48 3.218 1.022 11.878 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.276 0.817 14.126 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.921 -0.739 13.553 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.838 0.222 14.737 1.00 0.00 H new ATOM 636 N GLU A 49 4.764 3.147 12.082 1.00 0.00 N ATOM 637 CA GLU A 49 5.152 4.534 12.275 1.00 0.00 C ATOM 638 C GLU A 49 3.936 5.451 12.134 1.00 0.00 C ATOM 639 O GLU A 49 3.029 5.170 11.353 1.00 0.00 O ATOM 640 CB GLU A 49 6.258 4.934 11.295 1.00 0.00 C ATOM 641 CG GLU A 49 5.836 4.659 9.850 1.00 0.00 C ATOM 642 CD GLU A 49 6.352 3.297 9.380 1.00 0.00 C ATOM 643 OE1 GLU A 49 5.581 2.499 8.827 1.00 0.00 O ATOM 644 OE2 GLU A 49 7.604 3.080 9.605 1.00 0.00 O ATOM 0 H GLU A 49 4.908 2.792 11.137 1.00 0.00 H new ATOM 0 HA GLU A 49 5.548 4.643 13.285 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.490 5.992 11.415 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.169 4.380 11.523 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.749 4.687 9.773 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.222 5.443 9.199 1.00 0.00 H new ATOM 650 N PHE A 50 3.957 6.530 12.904 1.00 0.00 N ATOM 651 CA PHE A 50 2.867 7.490 12.875 1.00 0.00 C ATOM 652 C PHE A 50 3.165 8.627 11.895 1.00 0.00 C ATOM 653 O PHE A 50 2.372 9.559 11.761 1.00 0.00 O ATOM 654 CB PHE A 50 2.743 8.068 14.286 1.00 0.00 C ATOM 655 CG PHE A 50 2.008 7.155 15.269 1.00 0.00 C ATOM 656 CD1 PHE A 50 2.620 6.040 15.749 1.00 0.00 C ATOM 657 CD2 PHE A 50 0.742 7.459 15.663 1.00 0.00 C ATOM 658 CE1 PHE A 50 1.938 5.193 16.662 1.00 0.00 C ATOM 659 CE2 PHE A 50 0.060 6.612 16.576 1.00 0.00 C ATOM 660 CZ PHE A 50 0.673 5.496 17.057 1.00 0.00 C ATOM 0 H PHE A 50 4.711 6.760 13.551 1.00 0.00 H new ATOM 0 HA PHE A 50 1.948 7.001 12.554 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.741 8.273 14.673 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.220 9.023 14.232 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.625 5.798 15.436 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.256 8.345 15.281 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.425 4.307 17.043 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.945 6.853 16.889 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.155 4.852 17.752 1.00 0.00 H new ATOM 669 N MET A 51 4.307 8.513 11.235 1.00 0.00 N ATOM 670 CA MET A 51 4.719 9.521 10.271 1.00 0.00 C ATOM 671 C MET A 51 3.806 9.510 9.044 1.00 0.00 C ATOM 672 O MET A 51 3.952 10.343 8.150 1.00 0.00 O ATOM 673 CB MET A 51 6.161 9.253 9.837 1.00 0.00 C ATOM 674 CG MET A 51 6.298 7.861 9.216 1.00 0.00 C ATOM 675 SD MET A 51 7.110 7.976 7.631 1.00 0.00 S ATOM 676 CE MET A 51 8.746 8.461 8.156 1.00 0.00 C ATOM 0 H MET A 51 4.961 7.738 11.348 1.00 0.00 H new ATOM 0 HA MET A 51 4.649 10.500 10.744 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.474 10.009 9.117 1.00 0.00 H new ATOM 0 HB3 MET A 51 6.825 9.338 10.697 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.869 7.212 9.880 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.314 7.408 9.097 1.00 0.00 H new ATOM 0 HE1 MET A 51 9.427 8.423 7.306 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.715 9.476 8.551 1.00 0.00 H new ATOM 0 HE3 MET A 51 9.096 7.780 8.932 1.00 0.00 H new ATOM 684 N ASN A 52 2.884 8.559 9.039 1.00 0.00 N ATOM 685 CA ASN A 52 1.947 8.429 7.936 1.00 0.00 C ATOM 686 C ASN A 52 0.594 9.008 8.352 1.00 0.00 C ATOM 687 O ASN A 52 0.449 9.528 9.457 1.00 0.00 O ATOM 688 CB ASN A 52 1.738 6.961 7.560 1.00 0.00 C ATOM 689 CG ASN A 52 3.066 6.294 7.195 1.00 0.00 C ATOM 690 OD1 ASN A 52 3.522 5.365 7.841 1.00 0.00 O ATOM 691 ND2 ASN A 52 3.659 6.819 6.127 1.00 0.00 N ATOM 0 H ASN A 52 2.766 7.870 9.782 1.00 0.00 H new ATOM 0 HA ASN A 52 2.357 8.965 7.080 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.277 6.430 8.393 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.049 6.892 6.718 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.551 6.444 5.803 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.222 7.596 5.632 1.00 0.00 H new ATOM 697 N MET A 53 -0.365 8.897 7.444 1.00 0.00 N ATOM 698 CA MET A 53 -1.703 9.403 7.703 1.00 0.00 C ATOM 699 C MET A 53 -2.542 8.372 8.458 1.00 0.00 C ATOM 700 O MET A 53 -2.206 7.188 8.481 1.00 0.00 O ATOM 701 CB MET A 53 -2.385 9.745 6.376 1.00 0.00 C ATOM 702 CG MET A 53 -2.355 8.549 5.421 1.00 0.00 C ATOM 703 SD MET A 53 -1.505 8.992 3.916 1.00 0.00 S ATOM 704 CE MET A 53 -2.851 9.729 3.005 1.00 0.00 C ATOM 0 H MET A 53 -0.242 8.464 6.528 1.00 0.00 H new ATOM 0 HA MET A 53 -1.620 10.298 8.320 1.00 0.00 H new ATOM 0 HB2 MET A 53 -3.417 10.043 6.559 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.885 10.596 5.914 1.00 0.00 H new ATOM 0 HG2 MET A 53 -1.854 7.706 5.897 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.372 8.229 5.194 1.00 0.00 H new ATOM 0 HE1 MET A 53 -3.173 9.048 2.217 1.00 0.00 H new ATOM 0 HE2 MET A 53 -3.684 9.923 3.680 1.00 0.00 H new ATOM 0 HE3 MET A 53 -2.519 10.667 2.560 1.00 0.00 H new ATOM 712 N MET A 54 -3.619 8.857 9.059 1.00 0.00 N ATOM 713 CA MET A 54 -4.509 7.993 9.814 1.00 0.00 C ATOM 714 C MET A 54 -5.187 6.970 8.899 1.00 0.00 C ATOM 715 O MET A 54 -5.402 5.826 9.293 1.00 0.00 O ATOM 716 CB MET A 54 -5.576 8.841 10.510 1.00 0.00 C ATOM 717 CG MET A 54 -5.111 9.272 11.902 1.00 0.00 C ATOM 718 SD MET A 54 -6.137 8.516 13.151 1.00 0.00 S ATOM 719 CE MET A 54 -5.996 9.735 14.448 1.00 0.00 C ATOM 0 H MET A 54 -3.895 9.839 9.038 1.00 0.00 H new ATOM 0 HA MET A 54 -3.919 7.455 10.556 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.796 9.722 9.907 1.00 0.00 H new ATOM 0 HB3 MET A 54 -6.502 8.272 10.592 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.070 8.984 12.052 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.157 10.357 11.990 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.581 9.418 15.311 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.950 9.839 14.737 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.370 10.694 14.089 1.00 0.00 H new ATOM 727 N ASP A 55 -5.504 7.421 7.694 1.00 0.00 N ATOM 728 CA ASP A 55 -6.153 6.559 6.720 1.00 0.00 C ATOM 729 C ASP A 55 -5.450 5.201 6.699 1.00 0.00 C ATOM 730 O ASP A 55 -6.092 4.169 6.509 1.00 0.00 O ATOM 731 CB ASP A 55 -6.068 7.157 5.313 1.00 0.00 C ATOM 732 CG ASP A 55 -6.704 8.540 5.159 1.00 0.00 C ATOM 733 OD1 ASP A 55 -7.905 8.722 5.409 1.00 0.00 O ATOM 734 OD2 ASP A 55 -5.902 9.468 4.758 1.00 0.00 O ATOM 0 H ASP A 55 -5.324 8.371 7.370 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.200 6.455 7.006 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.019 7.222 5.025 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.549 6.473 4.614 1.00 0.00 H new ATOM 739 N GLU A 56 -4.141 5.244 6.898 1.00 0.00 N ATOM 740 CA GLU A 56 -3.344 4.029 6.905 1.00 0.00 C ATOM 741 C GLU A 56 -4.037 2.944 7.731 1.00 0.00 C ATOM 742 O GLU A 56 -4.203 1.817 7.268 1.00 0.00 O ATOM 743 CB GLU A 56 -1.933 4.302 7.430 1.00 0.00 C ATOM 744 CG GLU A 56 -1.168 5.235 6.489 1.00 0.00 C ATOM 745 CD GLU A 56 0.226 4.684 6.184 1.00 0.00 C ATOM 746 OE1 GLU A 56 0.720 3.809 6.911 1.00 0.00 O ATOM 747 OE2 GLU A 56 0.800 5.196 5.149 1.00 0.00 O ATOM 0 H GLU A 56 -3.612 6.102 7.056 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.251 3.672 5.879 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.991 4.749 8.423 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.392 3.362 7.534 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.726 5.358 5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.081 6.223 6.942 1.00 0.00 H new ATOM 753 N ALA A 57 -4.422 3.323 8.941 1.00 0.00 N ATOM 754 CA ALA A 57 -5.094 2.397 9.837 1.00 0.00 C ATOM 755 C ALA A 57 -6.447 2.008 9.240 1.00 0.00 C ATOM 756 O ALA A 57 -6.789 0.827 9.186 1.00 0.00 O ATOM 757 CB ALA A 57 -5.229 3.033 11.221 1.00 0.00 C ATOM 0 H ALA A 57 -4.281 4.259 9.322 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.510 1.484 9.953 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.733 2.338 11.893 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.239 3.264 11.614 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.812 3.951 11.144 1.00 0.00 H new ATOM 763 N PHE A 58 -7.182 3.022 8.806 1.00 0.00 N ATOM 764 CA PHE A 58 -8.489 2.800 8.215 1.00 0.00 C ATOM 765 C PHE A 58 -8.422 1.741 7.113 1.00 0.00 C ATOM 766 O PHE A 58 -9.353 0.956 6.942 1.00 0.00 O ATOM 767 CB PHE A 58 -8.935 4.129 7.601 1.00 0.00 C ATOM 768 CG PHE A 58 -10.445 4.239 7.383 1.00 0.00 C ATOM 769 CD1 PHE A 58 -11.029 3.588 6.341 1.00 0.00 C ATOM 770 CD2 PHE A 58 -11.202 4.987 8.228 1.00 0.00 C ATOM 771 CE1 PHE A 58 -12.430 3.690 6.137 1.00 0.00 C ATOM 772 CE2 PHE A 58 -12.605 5.089 8.025 1.00 0.00 C ATOM 773 CZ PHE A 58 -13.189 4.438 6.983 1.00 0.00 C ATOM 0 H PHE A 58 -6.896 4.000 8.852 1.00 0.00 H new ATOM 0 HA PHE A 58 -9.185 2.449 8.977 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.612 4.943 8.249 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -8.430 4.263 6.645 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -10.427 2.994 5.669 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -10.737 5.504 9.054 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -12.894 3.174 5.310 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -13.207 5.683 8.697 1.00 0.00 H new ATOM 0 HZ PHE A 58 -14.255 4.515 6.827 1.00 0.00 H new ATOM 782 N LYS A 59 -7.309 1.753 6.394 1.00 0.00 N ATOM 783 CA LYS A 59 -7.106 0.803 5.313 1.00 0.00 C ATOM 784 C LYS A 59 -7.238 -0.621 5.860 1.00 0.00 C ATOM 785 O LYS A 59 -7.973 -1.437 5.305 1.00 0.00 O ATOM 786 CB LYS A 59 -5.775 1.070 4.607 1.00 0.00 C ATOM 787 CG LYS A 59 -5.407 -0.087 3.676 1.00 0.00 C ATOM 788 CD LYS A 59 -4.116 -0.768 4.132 1.00 0.00 C ATOM 789 CE LYS A 59 -3.246 -1.152 2.933 1.00 0.00 C ATOM 790 NZ LYS A 59 -3.811 -2.331 2.239 1.00 0.00 N ATOM 0 H LYS A 59 -6.538 2.405 6.539 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.875 0.925 4.550 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.842 1.995 4.034 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.988 1.210 5.348 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.219 -0.814 3.656 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.287 0.285 2.658 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.561 -0.099 4.790 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.356 -1.659 4.712 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.179 -0.313 2.241 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.232 -1.371 3.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.203 -3.158 2.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.766 -2.523 2.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.861 -2.142 1.218 1.00 0.00 H new ATOM 799 N HIS A 60 -6.515 -0.875 6.941 1.00 0.00 N ATOM 800 CA HIS A 60 -6.542 -2.184 7.567 1.00 0.00 C ATOM 801 C HIS A 60 -7.989 -2.669 7.684 1.00 0.00 C ATOM 802 O HIS A 60 -8.270 -3.851 7.487 1.00 0.00 O ATOM 803 CB HIS A 60 -5.817 -2.157 8.914 1.00 0.00 C ATOM 804 CG HIS A 60 -6.042 -3.389 9.759 1.00 0.00 C ATOM 805 ND1 HIS A 60 -6.282 -4.639 9.213 1.00 0.00 N ATOM 806 CD2 HIS A 60 -6.060 -3.550 11.113 1.00 0.00 C ATOM 807 CE1 HIS A 60 -6.437 -5.504 10.203 1.00 0.00 C ATOM 808 NE2 HIS A 60 -6.300 -4.828 11.380 1.00 0.00 N ATOM 0 H HIS A 60 -5.907 -0.196 7.399 1.00 0.00 H new ATOM 0 HA HIS A 60 -6.005 -2.899 6.944 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -4.748 -2.041 8.737 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -6.144 -1.281 9.473 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -6.331 -4.856 8.218 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.905 -2.770 11.844 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.637 -6.560 10.097 1.00 0.00 H new ATOM 815 N THR A 61 -8.869 -1.731 8.001 1.00 0.00 N ATOM 816 CA THR A 61 -10.280 -2.048 8.145 1.00 0.00 C ATOM 817 C THR A 61 -10.867 -2.491 6.804 1.00 0.00 C ATOM 818 O THR A 61 -11.734 -3.363 6.760 1.00 0.00 O ATOM 819 CB THR A 61 -10.981 -0.825 8.741 1.00 0.00 C ATOM 820 OG1 THR A 61 -10.327 -0.625 9.991 1.00 0.00 O ATOM 821 CG2 THR A 61 -12.435 -1.109 9.121 1.00 0.00 C ATOM 0 H THR A 61 -8.633 -0.752 8.162 1.00 0.00 H new ATOM 0 HA THR A 61 -10.429 -2.889 8.823 1.00 0.00 H new ATOM 0 HB THR A 61 -10.948 -0.004 8.025 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.718 0.151 10.445 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.885 -0.208 9.539 1.00 0.00 H new ATOM 0 HG22 THR A 61 -12.990 -1.414 8.234 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.468 -1.908 9.862 1.00 0.00 H new ATOM 829 N ALA A 62 -10.371 -1.870 5.744 1.00 0.00 N ATOM 830 CA ALA A 62 -10.836 -2.190 4.404 1.00 0.00 C ATOM 831 C ALA A 62 -10.568 -3.669 4.116 1.00 0.00 C ATOM 832 O ALA A 62 -11.490 -4.420 3.802 1.00 0.00 O ATOM 833 CB ALA A 62 -10.154 -1.267 3.393 1.00 0.00 C ATOM 0 H ALA A 62 -9.652 -1.147 5.785 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.911 -2.027 4.321 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.503 -1.507 2.388 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.399 -0.230 3.624 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.074 -1.405 3.445 1.00 0.00 H new ATOM 839 N ARG A 63 -9.303 -4.042 4.234 1.00 0.00 N ATOM 840 CA ARG A 63 -8.903 -5.417 3.990 1.00 0.00 C ATOM 841 C ARG A 63 -9.384 -6.321 5.128 1.00 0.00 C ATOM 842 O ARG A 63 -8.993 -7.484 5.209 1.00 0.00 O ATOM 843 CB ARG A 63 -7.383 -5.535 3.864 1.00 0.00 C ATOM 844 CG ARG A 63 -6.986 -6.874 3.238 1.00 0.00 C ATOM 845 CD ARG A 63 -5.695 -7.409 3.861 1.00 0.00 C ATOM 846 NE ARG A 63 -4.709 -7.713 2.800 1.00 0.00 N ATOM 847 CZ ARG A 63 -3.414 -8.016 3.033 1.00 0.00 C ATOM 848 NH1 ARG A 63 -2.937 -8.058 4.296 1.00 0.00 N ATOM 849 NH2 ARG A 63 -2.622 -8.272 2.009 1.00 0.00 N ATOM 0 H ARG A 63 -8.541 -3.416 4.495 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.360 -5.733 3.052 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.001 -4.717 3.254 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.925 -5.440 4.848 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.789 -7.598 3.379 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.852 -6.752 2.163 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.283 -6.674 4.552 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.906 -8.308 4.441 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.028 -7.692 1.831 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.556 -7.860 5.082 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.957 -8.288 4.464 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.991 -8.239 1.059 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.641 -8.503 2.168 1.00 0.00 H new ATOM 859 N HIS A 64 -10.226 -5.750 5.977 1.00 0.00 N ATOM 860 CA HIS A 64 -10.765 -6.488 7.106 1.00 0.00 C ATOM 861 C HIS A 64 -11.833 -7.468 6.615 1.00 0.00 C ATOM 862 O HIS A 64 -11.682 -8.680 6.759 1.00 0.00 O ATOM 863 CB HIS A 64 -11.285 -5.534 8.181 1.00 0.00 C ATOM 864 CG HIS A 64 -11.379 -6.150 9.557 1.00 0.00 C ATOM 865 ND1 HIS A 64 -11.298 -5.404 10.720 1.00 0.00 N ATOM 866 CD2 HIS A 64 -11.549 -7.448 9.943 1.00 0.00 C ATOM 867 CE1 HIS A 64 -11.414 -6.226 11.753 1.00 0.00 C ATOM 868 NE2 HIS A 64 -11.569 -7.491 11.269 1.00 0.00 N ATOM 0 H HIS A 64 -10.548 -4.785 5.905 1.00 0.00 H new ATOM 0 HA HIS A 64 -9.973 -7.072 7.575 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.630 -4.664 8.228 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -12.271 -5.175 7.887 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -11.650 -8.296 9.282 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.390 -5.943 12.795 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.682 -8.333 11.834 1.00 0.00 H new ATOM 875 N ASN A 65 -12.890 -6.906 6.046 1.00 0.00 N ATOM 876 CA ASN A 65 -13.983 -7.714 5.535 1.00 0.00 C ATOM 877 C ASN A 65 -14.063 -7.552 4.015 1.00 0.00 C ATOM 878 O ASN A 65 -13.954 -8.530 3.277 1.00 0.00 O ATOM 879 CB ASN A 65 -15.321 -7.270 6.128 1.00 0.00 C ATOM 880 CG ASN A 65 -15.242 -5.831 6.644 1.00 0.00 C ATOM 881 OD1 ASN A 65 -15.515 -4.875 5.938 1.00 0.00 O ATOM 882 ND2 ASN A 65 -14.854 -5.733 7.913 1.00 0.00 N ATOM 0 H ASN A 65 -13.012 -5.900 5.928 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.793 -8.751 5.811 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.102 -7.346 5.371 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.601 -7.937 6.943 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.770 -4.816 8.351 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -14.641 -6.575 8.448 1.00 0.00 H new ATOM 888 N VAL A 66 -14.252 -6.310 3.593 1.00 0.00 N ATOM 889 CA VAL A 66 -14.347 -6.008 2.175 1.00 0.00 C ATOM 890 C VAL A 66 -12.972 -5.585 1.655 1.00 0.00 C ATOM 891 O VAL A 66 -11.947 -5.988 2.201 1.00 0.00 O ATOM 892 CB VAL A 66 -15.428 -4.952 1.937 1.00 0.00 C ATOM 893 CG1 VAL A 66 -16.046 -5.104 0.546 1.00 0.00 C ATOM 894 CG2 VAL A 66 -16.503 -5.012 3.025 1.00 0.00 C ATOM 0 H VAL A 66 -14.342 -5.501 4.208 1.00 0.00 H new ATOM 0 HA VAL A 66 -14.648 -6.893 1.615 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.955 -3.971 1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -16.811 -4.341 0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -15.271 -4.987 -0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.497 -6.092 0.454 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -17.259 -4.251 2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -16.970 -5.997 3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -16.046 -4.831 3.998 1.00 0.00 H new ATOM 904 N ASP A 67 -12.995 -4.777 0.605 1.00 0.00 N ATOM 905 CA ASP A 67 -11.763 -4.295 0.005 1.00 0.00 C ATOM 906 C ASP A 67 -11.889 -2.795 -0.274 1.00 0.00 C ATOM 907 O ASP A 67 -12.869 -2.351 -0.870 1.00 0.00 O ATOM 908 CB ASP A 67 -11.485 -5.000 -1.324 1.00 0.00 C ATOM 909 CG ASP A 67 -10.158 -4.628 -1.988 1.00 0.00 C ATOM 910 OD1 ASP A 67 -9.464 -3.697 -1.552 1.00 0.00 O ATOM 911 OD2 ASP A 67 -9.840 -5.347 -3.011 1.00 0.00 O ATOM 0 H ASP A 67 -13.848 -4.444 0.155 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.948 -4.499 0.699 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -11.501 -6.077 -1.157 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.296 -4.772 -2.015 1.00 0.00 H new ATOM 916 N GLU A 68 -10.885 -2.056 0.172 1.00 0.00 N ATOM 917 CA GLU A 68 -10.870 -0.617 -0.021 1.00 0.00 C ATOM 918 C GLU A 68 -9.440 -0.126 -0.254 1.00 0.00 C ATOM 919 O GLU A 68 -8.505 -0.599 0.391 1.00 0.00 O ATOM 920 CB GLU A 68 -11.510 0.103 1.169 1.00 0.00 C ATOM 921 CG GLU A 68 -12.661 1.000 0.712 1.00 0.00 C ATOM 922 CD GLU A 68 -12.259 2.476 0.760 1.00 0.00 C ATOM 923 OE1 GLU A 68 -12.205 3.069 1.847 1.00 0.00 O ATOM 924 OE2 GLU A 68 -11.994 3.006 -0.386 1.00 0.00 O ATOM 0 H GLU A 68 -10.075 -2.428 0.667 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.462 -0.384 -0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.878 -0.630 1.887 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.759 0.703 1.683 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.954 0.732 -0.303 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.530 0.835 1.349 1.00 0.00 H new ATOM 930 N LEU A 69 -9.315 0.815 -1.178 1.00 0.00 N ATOM 931 CA LEU A 69 -8.014 1.376 -1.504 1.00 0.00 C ATOM 932 C LEU A 69 -8.127 2.898 -1.595 1.00 0.00 C ATOM 933 O LEU A 69 -9.109 3.420 -2.121 1.00 0.00 O ATOM 934 CB LEU A 69 -7.452 0.724 -2.769 1.00 0.00 C ATOM 935 CG LEU A 69 -8.029 1.223 -4.094 1.00 0.00 C ATOM 936 CD1 LEU A 69 -9.555 1.105 -4.108 1.00 0.00 C ATOM 937 CD2 LEU A 69 -7.563 2.650 -4.393 1.00 0.00 C ATOM 0 H LEU A 69 -10.093 1.203 -1.711 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.296 1.157 -0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.373 0.878 -2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.619 -0.351 -2.705 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.649 0.585 -4.892 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.939 1.467 -5.062 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.840 0.062 -3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.974 1.703 -3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.988 2.980 -5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.894 3.315 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.475 2.672 -4.456 1.00 0.00 H new ATOM 948 N HIS A 70 -7.109 3.568 -1.076 1.00 0.00 N ATOM 949 CA HIS A 70 -7.082 5.020 -1.093 1.00 0.00 C ATOM 950 C HIS A 70 -5.663 5.505 -1.400 1.00 0.00 C ATOM 951 O HIS A 70 -4.689 4.936 -0.907 1.00 0.00 O ATOM 952 CB HIS A 70 -7.631 5.589 0.217 1.00 0.00 C ATOM 953 CG HIS A 70 -9.135 5.724 0.245 1.00 0.00 C ATOM 954 ND1 HIS A 70 -9.776 6.935 0.434 1.00 0.00 N ATOM 955 CD2 HIS A 70 -10.116 4.786 0.104 1.00 0.00 C ATOM 956 CE1 HIS A 70 -11.084 6.724 0.409 1.00 0.00 C ATOM 957 NE2 HIS A 70 -11.293 5.393 0.204 1.00 0.00 N ATOM 0 H HIS A 70 -6.296 3.132 -0.641 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.734 5.389 -1.885 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.319 4.946 1.040 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.185 6.568 0.391 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.962 3.730 -0.061 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.850 7.475 0.530 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -12.203 4.938 0.138 1.00 0.00 H new ATOM 964 N ILE A 71 -5.591 6.549 -2.212 1.00 0.00 N ATOM 965 CA ILE A 71 -4.308 7.114 -2.591 1.00 0.00 C ATOM 966 C ILE A 71 -4.378 8.640 -2.488 1.00 0.00 C ATOM 967 O ILE A 71 -5.303 9.259 -3.014 1.00 0.00 O ATOM 968 CB ILE A 71 -3.886 6.610 -3.972 1.00 0.00 C ATOM 969 CG1 ILE A 71 -2.826 7.524 -4.589 1.00 0.00 C ATOM 970 CG2 ILE A 71 -5.099 6.439 -4.888 1.00 0.00 C ATOM 971 CD1 ILE A 71 -3.470 8.587 -5.482 1.00 0.00 C ATOM 0 H ILE A 71 -6.401 7.018 -2.618 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.528 6.782 -1.905 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.432 5.626 -3.852 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.253 8.007 -3.798 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.124 6.930 -5.174 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.771 6.080 -5.863 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.788 5.718 -4.449 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.604 7.398 -5.006 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.694 9.223 -5.908 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.022 8.101 -6.286 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.153 9.195 -4.889 1.00 0.00 H new ATOM 982 N ASP A 72 -3.389 9.202 -1.810 1.00 0.00 N ATOM 983 CA ASP A 72 -3.327 10.642 -1.632 1.00 0.00 C ATOM 984 C ASP A 72 -1.865 11.091 -1.647 1.00 0.00 C ATOM 985 O ASP A 72 -1.000 10.421 -1.085 1.00 0.00 O ATOM 986 CB ASP A 72 -3.935 11.059 -0.291 1.00 0.00 C ATOM 987 CG ASP A 72 -4.296 12.541 -0.177 1.00 0.00 C ATOM 988 OD1 ASP A 72 -4.677 13.184 -1.166 1.00 0.00 O ATOM 989 OD2 ASP A 72 -4.172 13.044 1.005 1.00 0.00 O ATOM 0 H ASP A 72 -2.623 8.686 -1.377 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.889 11.106 -2.443 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.834 10.467 -0.117 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.231 10.810 0.503 1.00 0.00 H new ATOM 994 N GLY A 73 -1.633 12.223 -2.295 1.00 0.00 N ATOM 995 CA GLY A 73 -0.290 12.770 -2.391 1.00 0.00 C ATOM 996 C GLY A 73 -0.289 14.275 -2.111 1.00 0.00 C ATOM 997 O GLY A 73 -1.080 15.018 -2.692 1.00 0.00 O ATOM 0 H GLY A 73 -2.353 12.777 -2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.364 12.264 -1.681 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.113 12.581 -3.386 1.00 0.00 H new ATOM 1001 N ASN A 74 0.606 14.678 -1.223 1.00 0.00 N ATOM 1002 CA ASN A 74 0.720 16.080 -0.860 1.00 0.00 C ATOM 1003 C ASN A 74 2.189 16.416 -0.592 1.00 0.00 C ATOM 1004 O ASN A 74 2.884 15.673 0.100 1.00 0.00 O ATOM 1005 CB ASN A 74 -0.073 16.387 0.412 1.00 0.00 C ATOM 1006 CG ASN A 74 -0.442 17.870 0.485 1.00 0.00 C ATOM 1007 OD1 ASN A 74 0.145 18.715 -0.171 1.00 0.00 O ATOM 1008 ND2 ASN A 74 -1.444 18.137 1.317 1.00 0.00 N ATOM 0 H ASN A 74 1.259 14.059 -0.744 1.00 0.00 H new ATOM 0 HA ASN A 74 0.325 16.674 -1.684 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.979 15.782 0.435 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.516 16.112 1.287 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -1.765 19.098 1.437 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.891 17.381 1.836 1.00 0.00 H new ATOM 1014 N TYR A 75 2.620 17.535 -1.156 1.00 0.00 N ATOM 1015 CA TYR A 75 3.993 17.978 -0.987 1.00 0.00 C ATOM 1016 C TYR A 75 4.339 18.140 0.495 1.00 0.00 C ATOM 1017 O TYR A 75 5.511 18.237 0.855 1.00 0.00 O ATOM 1018 CB TYR A 75 4.084 19.343 -1.672 1.00 0.00 C ATOM 1019 CG TYR A 75 3.561 19.354 -3.110 1.00 0.00 C ATOM 1020 CD1 TYR A 75 3.831 18.291 -3.948 1.00 0.00 C ATOM 1021 CD2 TYR A 75 2.823 20.425 -3.567 1.00 0.00 C ATOM 1022 CE1 TYR A 75 3.339 18.301 -5.303 1.00 0.00 C ATOM 1023 CE2 TYR A 75 2.333 20.435 -4.921 1.00 0.00 C ATOM 1024 CZ TYR A 75 2.615 19.373 -5.722 1.00 0.00 C ATOM 1025 OH TYR A 75 2.151 19.382 -7.000 1.00 0.00 O ATOM 0 H TYR A 75 2.042 18.148 -1.731 1.00 0.00 H new ATOM 0 HA TYR A 75 4.685 17.251 -1.411 1.00 0.00 H new ATOM 0 HB2 TYR A 75 3.522 20.070 -1.086 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.124 19.669 -1.672 1.00 0.00 H new ATOM 0 HD1 TYR A 75 4.410 17.453 -3.589 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.613 21.256 -2.910 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.541 17.476 -5.970 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.754 21.268 -5.292 1.00 0.00 H new ATOM 0 HH TYR A 75 1.650 20.209 -7.160 1.00 0.00 H new ATOM 1034 N GLN A 76 3.297 18.163 1.314 1.00 0.00 N ATOM 1035 CA GLN A 76 3.476 18.312 2.748 1.00 0.00 C ATOM 1036 C GLN A 76 3.303 16.962 3.447 1.00 0.00 C ATOM 1037 O GLN A 76 3.650 16.816 4.618 1.00 0.00 O ATOM 1038 CB GLN A 76 2.509 19.352 3.316 1.00 0.00 C ATOM 1039 CG GLN A 76 1.059 18.886 3.176 1.00 0.00 C ATOM 1040 CD GLN A 76 0.483 18.468 4.531 1.00 0.00 C ATOM 1041 OE1 GLN A 76 1.145 17.856 5.353 1.00 0.00 O ATOM 1042 NE2 GLN A 76 -0.783 18.831 4.717 1.00 0.00 N ATOM 0 H GLN A 76 2.326 18.081 1.011 1.00 0.00 H new ATOM 0 HA GLN A 76 4.489 18.668 2.933 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.737 19.531 4.367 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.642 20.300 2.795 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.455 19.688 2.752 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.008 18.048 2.481 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -1.279 19.342 3.987 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -1.257 18.598 5.590 1.00 0.00 H new ATOM 1049 N LEU A 77 2.765 16.009 2.700 1.00 0.00 N ATOM 1050 CA LEU A 77 2.541 14.677 3.233 1.00 0.00 C ATOM 1051 C LEU A 77 3.788 14.220 3.993 1.00 0.00 C ATOM 1052 O LEU A 77 3.743 14.029 5.207 1.00 0.00 O ATOM 1053 CB LEU A 77 2.115 13.718 2.119 1.00 0.00 C ATOM 1054 CG LEU A 77 1.136 12.614 2.522 1.00 0.00 C ATOM 1055 CD1 LEU A 77 -0.302 13.136 2.539 1.00 0.00 C ATOM 1056 CD2 LEU A 77 1.290 11.388 1.619 1.00 0.00 C ATOM 0 H LEU A 77 2.478 16.134 1.729 1.00 0.00 H new ATOM 0 HA LEU A 77 1.717 14.687 3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.663 14.302 1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.010 13.250 1.708 1.00 0.00 H new ATOM 0 HG LEU A 77 1.376 12.298 3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.978 12.331 2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.384 13.954 3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.570 13.495 1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.583 10.618 1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.092 11.670 0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.306 11.001 1.701 1.00 0.00 H new ATOM 1067 N GLY A 78 4.871 14.060 3.247 1.00 0.00 N ATOM 1068 CA GLY A 78 6.128 13.630 3.837 1.00 0.00 C ATOM 1069 C GLY A 78 7.059 13.042 2.774 1.00 0.00 C ATOM 1070 O GLY A 78 7.943 12.247 3.090 1.00 0.00 O ATOM 0 H GLY A 78 4.905 14.220 2.240 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.614 14.476 4.324 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.936 12.885 4.609 1.00 0.00 H new ATOM 1074 N ARG A 79 6.827 13.455 1.536 1.00 0.00 N ATOM 1075 CA ARG A 79 7.634 12.979 0.426 1.00 0.00 C ATOM 1076 C ARG A 79 7.769 11.457 0.482 1.00 0.00 C ATOM 1077 O ARG A 79 8.878 10.926 0.450 1.00 0.00 O ATOM 1078 CB ARG A 79 9.029 13.608 0.448 1.00 0.00 C ATOM 1079 CG ARG A 79 8.946 15.129 0.301 1.00 0.00 C ATOM 1080 CD ARG A 79 10.339 15.741 0.136 1.00 0.00 C ATOM 1081 NE ARG A 79 11.129 15.540 1.372 1.00 0.00 N ATOM 1082 CZ ARG A 79 11.920 14.471 1.600 1.00 0.00 C ATOM 1083 NH1 ARG A 79 12.033 13.493 0.675 1.00 0.00 N ATOM 1084 NH2 ARG A 79 12.581 14.394 2.739 1.00 0.00 N ATOM 0 H ARG A 79 6.092 14.114 1.278 1.00 0.00 H new ATOM 0 HA ARG A 79 7.131 13.270 -0.496 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.531 13.356 1.382 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.632 13.193 -0.360 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.330 15.381 -0.562 1.00 0.00 H new ATOM 0 HG3 ARG A 79 8.459 15.557 1.177 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.849 15.282 -0.711 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.254 16.806 -0.082 1.00 0.00 H new ATOM 0 HE ARG A 79 11.072 16.255 2.097 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.518 13.560 -0.203 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.633 12.688 0.855 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.490 15.136 3.433 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.183 13.592 2.926 1.00 0.00 H new ATOM 1094 N ASN A 80 6.623 10.796 0.565 1.00 0.00 N ATOM 1095 CA ASN A 80 6.599 9.344 0.626 1.00 0.00 C ATOM 1096 C ASN A 80 5.917 8.797 -0.629 1.00 0.00 C ATOM 1097 O ASN A 80 4.753 9.096 -0.889 1.00 0.00 O ATOM 1098 CB ASN A 80 5.810 8.856 1.842 1.00 0.00 C ATOM 1099 CG ASN A 80 6.012 9.792 3.036 1.00 0.00 C ATOM 1100 OD1 ASN A 80 7.100 9.935 3.570 1.00 0.00 O ATOM 1101 ND2 ASN A 80 4.904 10.418 3.425 1.00 0.00 N ATOM 0 H ASN A 80 5.705 11.239 0.591 1.00 0.00 H new ATOM 0 HA ASN A 80 7.628 8.993 0.699 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.750 8.800 1.594 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.129 7.848 2.107 1.00 0.00 H new ATOM 0 HD21 ASN A 80 4.933 11.063 4.215 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.026 10.253 2.934 1.00 0.00 H new ATOM 1107 N VAL A 81 6.672 8.003 -1.376 1.00 0.00 N ATOM 1108 CA VAL A 81 6.155 7.410 -2.598 1.00 0.00 C ATOM 1109 C VAL A 81 6.212 5.886 -2.484 1.00 0.00 C ATOM 1110 O VAL A 81 7.293 5.299 -2.495 1.00 0.00 O ATOM 1111 CB VAL A 81 6.924 7.950 -3.806 1.00 0.00 C ATOM 1112 CG1 VAL A 81 6.840 9.476 -3.873 1.00 0.00 C ATOM 1113 CG2 VAL A 81 8.380 7.482 -3.784 1.00 0.00 C ATOM 0 H VAL A 81 7.638 7.757 -1.158 1.00 0.00 H new ATOM 0 HA VAL A 81 5.111 7.685 -2.745 1.00 0.00 H new ATOM 0 HB VAL A 81 6.457 7.549 -4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.395 9.833 -4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.797 9.780 -3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.269 9.904 -2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.903 7.880 -4.653 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.863 7.839 -2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.412 6.393 -3.808 1.00 0.00 H new ATOM 1123 N LEU A 82 5.035 5.288 -2.379 1.00 0.00 N ATOM 1124 CA LEU A 82 4.937 3.843 -2.264 1.00 0.00 C ATOM 1125 C LEU A 82 4.017 3.309 -3.364 1.00 0.00 C ATOM 1126 O LEU A 82 2.847 3.678 -3.431 1.00 0.00 O ATOM 1127 CB LEU A 82 4.502 3.446 -0.851 1.00 0.00 C ATOM 1128 CG LEU A 82 5.513 3.722 0.264 1.00 0.00 C ATOM 1129 CD1 LEU A 82 4.888 3.485 1.640 1.00 0.00 C ATOM 1130 CD2 LEU A 82 6.787 2.900 0.064 1.00 0.00 C ATOM 0 H LEU A 82 4.140 5.778 -2.371 1.00 0.00 H new ATOM 0 HA LEU A 82 5.913 3.382 -2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.578 3.973 -0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.271 2.381 -0.849 1.00 0.00 H new ATOM 0 HG LEU A 82 5.797 4.773 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.627 3.688 2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.033 4.149 1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.558 2.449 1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.489 3.115 0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.540 1.838 0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.242 3.160 -0.892 1.00 0.00 H new ATOM 1141 N LEU A 83 4.583 2.448 -4.198 1.00 0.00 N ATOM 1142 CA LEU A 83 3.828 1.861 -5.291 1.00 0.00 C ATOM 1143 C LEU A 83 3.702 0.352 -5.065 1.00 0.00 C ATOM 1144 O LEU A 83 4.688 -0.379 -5.170 1.00 0.00 O ATOM 1145 CB LEU A 83 4.456 2.230 -6.636 1.00 0.00 C ATOM 1146 CG LEU A 83 3.804 1.611 -7.873 1.00 0.00 C ATOM 1147 CD1 LEU A 83 3.809 2.594 -9.046 1.00 0.00 C ATOM 1148 CD2 LEU A 83 4.471 0.282 -8.237 1.00 0.00 C ATOM 0 H LEU A 83 5.555 2.144 -4.138 1.00 0.00 H new ATOM 0 HA LEU A 83 2.817 2.267 -5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.431 3.315 -6.741 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.505 1.936 -6.617 1.00 0.00 H new ATOM 0 HG LEU A 83 2.762 1.395 -7.638 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.340 2.129 -9.913 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.255 3.491 -8.771 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.836 2.863 -9.291 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.989 -0.137 -9.120 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.527 0.450 -8.446 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.372 -0.415 -7.404 1.00 0.00 H new ATOM 1159 N LYS A 84 2.485 -0.069 -4.758 1.00 0.00 N ATOM 1160 CA LYS A 84 2.218 -1.477 -4.518 1.00 0.00 C ATOM 1161 C LYS A 84 1.092 -1.945 -5.442 1.00 0.00 C ATOM 1162 O LYS A 84 -0.019 -1.421 -5.385 1.00 0.00 O ATOM 1163 CB LYS A 84 1.938 -1.723 -3.034 1.00 0.00 C ATOM 1164 CG LYS A 84 2.841 -2.825 -2.479 1.00 0.00 C ATOM 1165 CD LYS A 84 2.426 -4.196 -3.015 1.00 0.00 C ATOM 1166 CE LYS A 84 1.158 -4.696 -2.319 1.00 0.00 C ATOM 1167 NZ LYS A 84 1.459 -5.112 -0.932 1.00 0.00 N ATOM 0 H LYS A 84 1.672 0.540 -4.670 1.00 0.00 H new ATOM 0 HA LYS A 84 3.096 -2.077 -4.758 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.096 -0.802 -2.473 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.893 -2.002 -2.899 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.877 -2.623 -2.751 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.792 -2.826 -1.390 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.255 -4.134 -4.090 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.235 -4.910 -2.862 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.404 -3.909 -2.313 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.738 -5.535 -2.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.684 -5.704 -0.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.346 -5.655 -0.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.559 -4.269 -0.331 1.00 0.00 H new ATOM 1176 N ASN A 85 1.419 -2.925 -6.271 1.00 0.00 N ATOM 1177 CA ASN A 85 0.449 -3.469 -7.206 1.00 0.00 C ATOM 1178 C ASN A 85 0.164 -4.928 -6.847 1.00 0.00 C ATOM 1179 O ASN A 85 1.040 -5.783 -6.961 1.00 0.00 O ATOM 1180 CB ASN A 85 0.985 -3.431 -8.639 1.00 0.00 C ATOM 1181 CG ASN A 85 0.137 -4.306 -9.564 1.00 0.00 C ATOM 1182 OD1 ASN A 85 0.542 -5.373 -9.996 1.00 0.00 O ATOM 1183 ND2 ASN A 85 -1.060 -3.798 -9.843 1.00 0.00 N ATOM 0 H ASN A 85 2.342 -3.357 -6.315 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.456 -2.865 -7.143 1.00 0.00 H new ATOM 0 HB2 ASN A 85 0.986 -2.404 -9.004 1.00 0.00 H new ATOM 0 HB3 ASN A 85 2.019 -3.775 -8.654 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -1.701 -4.307 -10.452 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -1.337 -2.899 -9.448 1.00 0.00 H new ATOM 1189 N GLY A 86 -1.068 -5.168 -6.418 1.00 0.00 N ATOM 1190 CA GLY A 86 -1.480 -6.509 -6.041 1.00 0.00 C ATOM 1191 C GLY A 86 -2.615 -7.007 -6.939 1.00 0.00 C ATOM 1192 O GLY A 86 -3.707 -6.442 -6.936 1.00 0.00 O ATOM 0 H GLY A 86 -1.793 -4.456 -6.324 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.630 -7.188 -6.113 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.806 -6.514 -5.001 1.00 0.00 H new ATOM 1196 N GLU A 87 -2.316 -8.060 -7.686 1.00 0.00 N ATOM 1197 CA GLU A 87 -3.297 -8.639 -8.587 1.00 0.00 C ATOM 1198 C GLU A 87 -3.472 -10.130 -8.293 1.00 0.00 C ATOM 1199 O GLU A 87 -2.518 -10.901 -8.383 1.00 0.00 O ATOM 1200 CB GLU A 87 -2.902 -8.412 -10.048 1.00 0.00 C ATOM 1201 CG GLU A 87 -4.132 -8.430 -10.958 1.00 0.00 C ATOM 1202 CD GLU A 87 -4.220 -9.746 -11.734 1.00 0.00 C ATOM 1203 OE1 GLU A 87 -3.184 -10.322 -12.098 1.00 0.00 O ATOM 1204 OE2 GLU A 87 -5.419 -10.168 -11.956 1.00 0.00 O ATOM 0 H GLU A 87 -1.409 -8.527 -7.685 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.252 -8.140 -8.421 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.388 -7.456 -10.145 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.201 -9.185 -10.363 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.033 -8.295 -10.360 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.085 -7.594 -11.656 1.00 0.00 H new ATOM 1210 N ASP A 88 -4.698 -10.492 -7.946 1.00 0.00 N ATOM 1211 CA ASP A 88 -5.011 -11.877 -7.638 1.00 0.00 C ATOM 1212 C ASP A 88 -6.446 -12.182 -8.074 1.00 0.00 C ATOM 1213 O ASP A 88 -7.297 -11.294 -8.082 1.00 0.00 O ATOM 1214 CB ASP A 88 -4.908 -12.143 -6.135 1.00 0.00 C ATOM 1215 CG ASP A 88 -4.139 -13.410 -5.752 1.00 0.00 C ATOM 1216 OD1 ASP A 88 -2.903 -13.461 -5.849 1.00 0.00 O ATOM 1217 OD2 ASP A 88 -4.870 -14.387 -5.336 1.00 0.00 O ATOM 0 H ASP A 88 -5.487 -9.850 -7.871 1.00 0.00 H new ATOM 0 HA ASP A 88 -4.298 -12.509 -8.167 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.426 -11.287 -5.662 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -5.915 -12.209 -5.723 1.00 0.00 H new ATOM 1222 N ARG A 89 -6.669 -13.439 -8.427 1.00 0.00 N ATOM 1223 CA ARG A 89 -7.985 -13.872 -8.864 1.00 0.00 C ATOM 1224 C ARG A 89 -8.553 -14.906 -7.891 1.00 0.00 C ATOM 1225 O ARG A 89 -7.999 -15.995 -7.742 1.00 0.00 O ATOM 1226 CB ARG A 89 -7.928 -14.478 -10.267 1.00 0.00 C ATOM 1227 CG ARG A 89 -8.537 -13.528 -11.300 1.00 0.00 C ATOM 1228 CD ARG A 89 -8.624 -14.195 -12.675 1.00 0.00 C ATOM 1229 NE ARG A 89 -8.261 -13.226 -13.732 1.00 0.00 N ATOM 1230 CZ ARG A 89 -7.038 -12.669 -13.861 1.00 0.00 C ATOM 1231 NH1 ARG A 89 -6.048 -12.982 -12.998 1.00 0.00 N ATOM 1232 NH2 ARG A 89 -6.825 -11.814 -14.844 1.00 0.00 N ATOM 0 H ARG A 89 -5.960 -14.172 -8.419 1.00 0.00 H new ATOM 0 HA ARG A 89 -8.632 -12.995 -8.886 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -6.893 -14.694 -10.532 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.465 -15.427 -10.279 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -9.532 -13.223 -10.976 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.933 -12.623 -11.368 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -7.956 -15.055 -12.714 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -9.634 -14.568 -12.844 1.00 0.00 H new ATOM 0 HE ARG A 89 -8.980 -12.962 -14.406 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.221 -13.644 -12.241 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.127 -12.557 -13.103 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -7.579 -11.583 -15.492 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.907 -11.384 -14.956 1.00 0.00 H new ATOM 1242 N LEU A 90 -9.653 -14.532 -7.254 1.00 0.00 N ATOM 1243 CA LEU A 90 -10.303 -15.414 -6.300 1.00 0.00 C ATOM 1244 C LEU A 90 -11.759 -15.630 -6.720 1.00 0.00 C ATOM 1245 O LEU A 90 -12.331 -14.806 -7.430 1.00 0.00 O ATOM 1246 CB LEU A 90 -10.148 -14.873 -4.877 1.00 0.00 C ATOM 1247 CG LEU A 90 -9.231 -15.674 -3.951 1.00 0.00 C ATOM 1248 CD1 LEU A 90 -8.213 -14.761 -3.263 1.00 0.00 C ATOM 1249 CD2 LEU A 90 -10.045 -16.487 -2.942 1.00 0.00 C ATOM 0 H LEU A 90 -10.111 -13.629 -7.380 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.822 -16.392 -6.299 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.769 -13.853 -4.937 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -11.136 -14.820 -4.420 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.669 -16.384 -4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.574 -15.356 -2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.601 -14.265 -4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.738 -14.011 -2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.369 -17.047 -2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.651 -15.813 -2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.696 -17.181 -3.474 1.00 0.00 H new ATOM 1260 N ARG A 91 -12.314 -16.742 -6.264 1.00 0.00 N ATOM 1261 CA ARG A 91 -13.691 -17.077 -6.583 1.00 0.00 C ATOM 1262 C ARG A 91 -14.650 -16.292 -5.686 1.00 0.00 C ATOM 1263 O ARG A 91 -15.865 -16.344 -5.874 1.00 0.00 O ATOM 1264 CB ARG A 91 -13.950 -18.575 -6.408 1.00 0.00 C ATOM 1265 CG ARG A 91 -13.979 -19.288 -7.761 1.00 0.00 C ATOM 1266 CD ARG A 91 -12.643 -19.975 -8.048 1.00 0.00 C ATOM 1267 NE ARG A 91 -12.878 -21.313 -8.636 1.00 0.00 N ATOM 1268 CZ ARG A 91 -12.929 -21.557 -9.963 1.00 0.00 C ATOM 1269 NH1 ARG A 91 -12.762 -20.555 -10.851 1.00 0.00 N ATOM 1270 NH2 ARG A 91 -13.145 -22.791 -10.379 1.00 0.00 N ATOM 0 H ARG A 91 -11.835 -17.424 -5.675 1.00 0.00 H new ATOM 0 HA ARG A 91 -13.863 -16.811 -7.626 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -13.173 -19.011 -5.780 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -14.899 -18.726 -5.893 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -14.781 -20.026 -7.770 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -14.199 -18.569 -8.550 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.051 -19.367 -8.732 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.068 -20.069 -7.127 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.010 -22.099 -7.999 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.596 -19.604 -10.522 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -12.802 -20.748 -11.852 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.270 -23.543 -9.701 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.186 -22.992 -11.378 1.00 0.00 H new ATOM 1280 N PHE A 92 -14.069 -15.585 -4.729 1.00 0.00 N ATOM 1281 CA PHE A 92 -14.856 -14.790 -3.801 1.00 0.00 C ATOM 1282 C PHE A 92 -15.376 -13.518 -4.473 1.00 0.00 C ATOM 1283 O PHE A 92 -16.472 -13.053 -4.166 1.00 0.00 O ATOM 1284 CB PHE A 92 -13.930 -14.400 -2.647 1.00 0.00 C ATOM 1285 CG PHE A 92 -14.134 -15.230 -1.378 1.00 0.00 C ATOM 1286 CD1 PHE A 92 -15.201 -14.987 -0.571 1.00 0.00 C ATOM 1287 CD2 PHE A 92 -13.249 -16.212 -1.057 1.00 0.00 C ATOM 1288 CE1 PHE A 92 -15.391 -15.757 0.607 1.00 0.00 C ATOM 1289 CE2 PHE A 92 -13.438 -16.982 0.121 1.00 0.00 C ATOM 1290 CZ PHE A 92 -14.506 -16.739 0.928 1.00 0.00 C ATOM 0 H PHE A 92 -13.061 -15.546 -4.575 1.00 0.00 H new ATOM 0 HA PHE A 92 -15.716 -15.365 -3.456 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -12.895 -14.503 -2.974 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -14.086 -13.348 -2.410 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -15.904 -14.208 -0.826 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -12.402 -16.406 -1.699 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -16.238 -15.563 1.248 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -12.734 -17.760 0.376 1.00 0.00 H new ATOM 0 HZ PHE A 92 -14.651 -17.326 1.823 1.00 0.00 H new ATOM 1299 N TYR A 93 -14.566 -12.991 -5.380 1.00 0.00 N ATOM 1300 CA TYR A 93 -14.930 -11.782 -6.098 1.00 0.00 C ATOM 1301 C TYR A 93 -15.775 -12.112 -7.331 1.00 0.00 C ATOM 1302 O TYR A 93 -15.752 -13.240 -7.822 1.00 0.00 O ATOM 1303 CB TYR A 93 -13.614 -11.147 -6.550 1.00 0.00 C ATOM 1304 CG TYR A 93 -13.014 -10.172 -5.535 1.00 0.00 C ATOM 1305 CD1 TYR A 93 -12.763 -10.588 -4.244 1.00 0.00 C ATOM 1306 CD2 TYR A 93 -12.722 -8.877 -5.913 1.00 0.00 C ATOM 1307 CE1 TYR A 93 -12.197 -9.670 -3.289 1.00 0.00 C ATOM 1308 CE2 TYR A 93 -12.157 -7.959 -4.958 1.00 0.00 C ATOM 1309 CZ TYR A 93 -11.922 -8.401 -3.694 1.00 0.00 C ATOM 1310 OH TYR A 93 -11.388 -7.535 -2.792 1.00 0.00 O ATOM 0 H TYR A 93 -13.658 -13.380 -5.634 1.00 0.00 H new ATOM 0 HA TYR A 93 -15.516 -11.119 -5.462 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.891 -11.937 -6.751 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.780 -10.621 -7.490 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.991 -11.602 -3.949 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.917 -8.552 -6.924 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.996 -9.982 -2.275 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.925 -6.942 -5.240 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.870 -6.850 -3.264 1.00 0.00 H new ATOM 1319 N VAL A 94 -16.499 -11.106 -7.798 1.00 0.00 N ATOM 1320 CA VAL A 94 -17.348 -11.273 -8.965 1.00 0.00 C ATOM 1321 C VAL A 94 -16.760 -10.484 -10.137 1.00 0.00 C ATOM 1322 O VAL A 94 -16.840 -10.918 -11.285 1.00 0.00 O ATOM 1323 CB VAL A 94 -18.784 -10.864 -8.630 1.00 0.00 C ATOM 1324 CG1 VAL A 94 -19.343 -11.711 -7.484 1.00 0.00 C ATOM 1325 CG2 VAL A 94 -18.867 -9.373 -8.300 1.00 0.00 C ATOM 0 H VAL A 94 -16.515 -10.172 -7.389 1.00 0.00 H new ATOM 0 HA VAL A 94 -17.383 -12.321 -9.264 1.00 0.00 H new ATOM 0 HB VAL A 94 -19.398 -11.047 -9.512 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -20.365 -11.400 -7.266 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -19.338 -12.762 -7.772 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -18.725 -11.575 -6.596 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -19.898 -9.109 -8.066 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -18.232 -9.155 -7.441 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -18.529 -8.791 -9.158 1.00 0.00 H new ATOM 1335 N LYS A 95 -16.182 -9.338 -9.807 1.00 0.00 N ATOM 1336 CA LYS A 95 -15.581 -8.485 -10.817 1.00 0.00 C ATOM 1337 C LYS A 95 -14.119 -8.889 -11.015 1.00 0.00 C ATOM 1338 O LYS A 95 -13.592 -8.804 -12.123 1.00 0.00 O ATOM 1339 CB LYS A 95 -15.768 -7.011 -10.454 1.00 0.00 C ATOM 1340 CG LYS A 95 -16.206 -6.197 -11.673 1.00 0.00 C ATOM 1341 CD LYS A 95 -15.567 -4.806 -11.662 1.00 0.00 C ATOM 1342 CE LYS A 95 -15.205 -4.358 -13.079 1.00 0.00 C ATOM 1343 NZ LYS A 95 -13.858 -4.847 -13.449 1.00 0.00 N ATOM 0 H LYS A 95 -16.117 -8.981 -8.854 1.00 0.00 H new ATOM 0 HA LYS A 95 -16.082 -8.619 -11.776 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -16.513 -6.919 -9.664 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.835 -6.609 -10.060 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -15.926 -6.723 -12.586 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -17.292 -6.102 -11.681 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -16.256 -4.089 -11.215 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -14.672 -4.818 -11.041 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -15.943 -4.737 -13.786 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -15.233 -3.270 -13.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.628 -4.534 -14.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.155 -4.465 -12.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.843 -5.886 -13.409 1.00 0.00 H new ATOM 1352 N PHE A 96 -13.504 -9.321 -9.923 1.00 0.00 N ATOM 1353 CA PHE A 96 -12.113 -9.739 -9.963 1.00 0.00 C ATOM 1354 C PHE A 96 -11.306 -8.864 -10.924 1.00 0.00 C ATOM 1355 O PHE A 96 -10.603 -9.377 -11.795 1.00 0.00 O ATOM 1356 CB PHE A 96 -12.094 -11.182 -10.467 1.00 0.00 C ATOM 1357 CG PHE A 96 -12.507 -11.336 -11.933 1.00 0.00 C ATOM 1358 CD1 PHE A 96 -13.824 -11.333 -12.272 1.00 0.00 C ATOM 1359 CD2 PHE A 96 -11.556 -11.475 -12.896 1.00 0.00 C ATOM 1360 CE1 PHE A 96 -14.207 -11.475 -13.632 1.00 0.00 C ATOM 1361 CE2 PHE A 96 -11.940 -11.617 -14.256 1.00 0.00 C ATOM 1362 CZ PHE A 96 -13.256 -11.614 -14.596 1.00 0.00 C ATOM 0 H PHE A 96 -13.944 -9.390 -9.005 1.00 0.00 H new ATOM 0 HA PHE A 96 -11.668 -9.649 -8.972 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -11.090 -11.587 -10.339 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -12.761 -11.781 -9.848 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.578 -11.223 -11.507 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -10.510 -11.477 -12.627 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -15.253 -11.473 -13.902 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -11.186 -11.727 -15.021 1.00 0.00 H new ATOM 0 HZ PHE A 96 -13.547 -11.722 -15.630 1.00 0.00 H new ATOM 1371 N GLY A 97 -11.432 -7.559 -10.736 1.00 0.00 N ATOM 1372 CA GLY A 97 -10.723 -6.609 -11.575 1.00 0.00 C ATOM 1373 C GLY A 97 -9.235 -6.570 -11.223 1.00 0.00 C ATOM 1374 O GLY A 97 -8.867 -6.691 -10.055 1.00 0.00 O ATOM 0 H GLY A 97 -12.016 -7.137 -10.014 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -10.845 -6.882 -12.623 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -11.156 -5.616 -11.452 1.00 0.00 H new ATOM 1378 N PRO A 98 -8.398 -6.395 -12.281 1.00 0.00 N ATOM 1379 CA PRO A 98 -6.959 -6.339 -12.095 1.00 0.00 C ATOM 1380 C PRO A 98 -6.535 -4.997 -11.494 1.00 0.00 C ATOM 1381 O PRO A 98 -6.013 -4.135 -12.199 1.00 0.00 O ATOM 1382 CB PRO A 98 -6.373 -6.582 -13.476 1.00 0.00 C ATOM 1383 CG PRO A 98 -7.498 -6.304 -14.460 1.00 0.00 C ATOM 1384 CD PRO A 98 -8.799 -6.248 -13.677 1.00 0.00 C ATOM 0 HA PRO A 98 -6.598 -7.085 -11.387 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -5.522 -5.926 -13.660 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -6.013 -7.606 -13.573 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -7.325 -5.362 -14.981 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -7.543 -7.085 -15.219 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -9.320 -5.305 -13.842 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -9.478 -7.045 -13.980 1.00 0.00 H new ATOM 1389 N GLY A 99 -6.777 -4.863 -10.199 1.00 0.00 N ATOM 1390 CA GLY A 99 -6.428 -3.640 -9.495 1.00 0.00 C ATOM 1391 C GLY A 99 -5.053 -3.129 -9.932 1.00 0.00 C ATOM 1392 O GLY A 99 -4.027 -3.667 -9.519 1.00 0.00 O ATOM 0 H GLY A 99 -7.211 -5.581 -9.618 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.182 -2.877 -9.689 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.428 -3.822 -8.420 1.00 0.00 H new ATOM 1396 N ALA A 100 -5.078 -2.097 -10.763 1.00 0.00 N ATOM 1397 CA ALA A 100 -3.846 -1.507 -11.260 1.00 0.00 C ATOM 1398 C ALA A 100 -3.668 -0.117 -10.648 1.00 0.00 C ATOM 1399 O ALA A 100 -4.583 0.410 -10.018 1.00 0.00 O ATOM 1400 CB ALA A 100 -3.879 -1.471 -12.789 1.00 0.00 C ATOM 0 H ALA A 100 -5.931 -1.655 -11.104 1.00 0.00 H new ATOM 0 HA ALA A 100 -2.986 -2.109 -10.966 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -2.955 -1.029 -13.163 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -3.977 -2.486 -13.175 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.728 -0.873 -13.121 1.00 0.00 H new ATOM 1406 N VAL A 101 -2.482 0.438 -10.854 1.00 0.00 N ATOM 1407 CA VAL A 101 -2.171 1.756 -10.330 1.00 0.00 C ATOM 1408 C VAL A 101 -3.103 2.787 -10.971 1.00 0.00 C ATOM 1409 O VAL A 101 -3.649 3.647 -10.283 1.00 0.00 O ATOM 1410 CB VAL A 101 -0.690 2.071 -10.549 1.00 0.00 C ATOM 1411 CG1 VAL A 101 -0.232 3.216 -9.643 1.00 0.00 C ATOM 1412 CG2 VAL A 101 0.173 0.825 -10.337 1.00 0.00 C ATOM 0 H VAL A 101 -1.725 -0.002 -11.377 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.340 1.789 -9.254 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.566 2.393 -11.583 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.824 3.419 -9.819 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.815 4.110 -9.864 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.378 2.936 -8.600 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.221 1.077 -10.499 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.041 0.460 -9.319 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.127 0.050 -11.042 1.00 0.00 H new ATOM 1422 N ILE A 102 -3.253 2.667 -12.282 1.00 0.00 N ATOM 1423 CA ILE A 102 -4.109 3.578 -13.024 1.00 0.00 C ATOM 1424 C ILE A 102 -5.530 3.506 -12.463 1.00 0.00 C ATOM 1425 O ILE A 102 -6.217 4.523 -12.369 1.00 0.00 O ATOM 1426 CB ILE A 102 -4.024 3.291 -14.524 1.00 0.00 C ATOM 1427 CG1 ILE A 102 -2.595 3.469 -15.037 1.00 0.00 C ATOM 1428 CG2 ILE A 102 -5.024 4.147 -15.304 1.00 0.00 C ATOM 1429 CD1 ILE A 102 -2.123 4.913 -14.856 1.00 0.00 C ATOM 0 H ILE A 102 -2.796 1.953 -12.850 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.769 4.606 -12.901 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.296 2.248 -14.687 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.926 2.794 -14.502 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.547 3.196 -16.091 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -4.943 3.923 -16.368 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.036 3.926 -14.963 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -4.807 5.202 -15.138 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.104 5.012 -15.229 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.779 5.583 -15.412 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -2.149 5.174 -13.798 1.00 0.00 H new ATOM 1440 N LYS A 103 -5.930 2.295 -12.104 1.00 0.00 N ATOM 1441 CA LYS A 103 -7.257 2.078 -11.554 1.00 0.00 C ATOM 1442 C LYS A 103 -7.383 2.823 -10.224 1.00 0.00 C ATOM 1443 O LYS A 103 -8.365 3.526 -9.992 1.00 0.00 O ATOM 1444 CB LYS A 103 -7.555 0.581 -11.450 1.00 0.00 C ATOM 1445 CG LYS A 103 -7.714 -0.044 -12.838 1.00 0.00 C ATOM 1446 CD LYS A 103 -9.055 0.343 -13.463 1.00 0.00 C ATOM 1447 CE LYS A 103 -8.945 0.431 -14.986 1.00 0.00 C ATOM 1448 NZ LYS A 103 -9.631 -0.716 -15.622 1.00 0.00 N ATOM 0 H LYS A 103 -5.358 1.454 -12.183 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.016 2.486 -12.221 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -6.748 0.082 -10.913 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -8.466 0.427 -10.871 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.900 0.284 -13.484 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.644 -1.129 -12.762 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -9.812 -0.392 -13.191 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.384 1.302 -13.063 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -9.386 1.365 -15.335 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.896 0.444 -15.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -9.547 -0.641 -16.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.193 -1.603 -15.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -10.636 -0.711 -15.355 1.00 0.00 H new ATOM 1457 N GLU A 104 -6.373 2.645 -9.385 1.00 0.00 N ATOM 1458 CA GLU A 104 -6.358 3.293 -8.084 1.00 0.00 C ATOM 1459 C GLU A 104 -6.771 4.760 -8.216 1.00 0.00 C ATOM 1460 O GLU A 104 -7.586 5.251 -7.438 1.00 0.00 O ATOM 1461 CB GLU A 104 -4.982 3.168 -7.425 1.00 0.00 C ATOM 1462 CG GLU A 104 -4.593 1.700 -7.243 1.00 0.00 C ATOM 1463 CD GLU A 104 -4.442 1.352 -5.761 1.00 0.00 C ATOM 1464 OE1 GLU A 104 -5.445 1.285 -5.035 1.00 0.00 O ATOM 1465 OE2 GLU A 104 -3.230 1.147 -5.370 1.00 0.00 O ATOM 0 H GLU A 104 -5.559 2.062 -9.581 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.080 2.789 -7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.235 3.673 -8.037 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.992 3.668 -6.457 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.351 1.061 -7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.657 1.501 -7.764 1.00 0.00 H new ATOM 1471 N PHE A 105 -6.190 5.418 -9.209 1.00 0.00 N ATOM 1472 CA PHE A 105 -6.488 6.819 -9.452 1.00 0.00 C ATOM 1473 C PHE A 105 -7.998 7.059 -9.498 1.00 0.00 C ATOM 1474 O PHE A 105 -8.485 8.072 -8.999 1.00 0.00 O ATOM 1475 CB PHE A 105 -5.887 7.174 -10.815 1.00 0.00 C ATOM 1476 CG PHE A 105 -4.829 8.277 -10.759 1.00 0.00 C ATOM 1477 CD1 PHE A 105 -5.206 9.573 -10.589 1.00 0.00 C ATOM 1478 CD2 PHE A 105 -3.511 7.964 -10.880 1.00 0.00 C ATOM 1479 CE1 PHE A 105 -4.225 10.598 -10.537 1.00 0.00 C ATOM 1480 CE2 PHE A 105 -2.530 8.988 -10.829 1.00 0.00 C ATOM 1481 CZ PHE A 105 -2.908 10.284 -10.659 1.00 0.00 C ATOM 0 H PHE A 105 -5.515 5.007 -9.854 1.00 0.00 H new ATOM 0 HA PHE A 105 -6.074 7.431 -8.651 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -5.441 6.279 -11.249 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -6.689 7.487 -11.484 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.252 9.822 -10.494 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -3.211 6.935 -11.015 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.525 11.627 -10.401 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -1.484 8.739 -10.925 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.161 11.063 -10.621 1.00 0.00 H new ATOM 1490 N LYS A 106 -8.698 6.109 -10.100 1.00 0.00 N ATOM 1491 CA LYS A 106 -10.143 6.204 -10.217 1.00 0.00 C ATOM 1492 C LYS A 106 -10.721 6.764 -8.914 1.00 0.00 C ATOM 1493 O LYS A 106 -11.732 7.463 -8.930 1.00 0.00 O ATOM 1494 CB LYS A 106 -10.739 4.853 -10.623 1.00 0.00 C ATOM 1495 CG LYS A 106 -12.257 4.950 -10.784 1.00 0.00 C ATOM 1496 CD LYS A 106 -12.977 4.276 -9.614 1.00 0.00 C ATOM 1497 CE LYS A 106 -12.957 2.753 -9.762 1.00 0.00 C ATOM 1498 NZ LYS A 106 -14.189 2.282 -10.434 1.00 0.00 N ATOM 0 H LYS A 106 -8.291 5.269 -10.512 1.00 0.00 H new ATOM 0 HA LYS A 106 -10.415 6.898 -11.012 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -10.291 4.520 -11.559 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.497 4.103 -9.870 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.554 5.997 -10.844 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -12.558 4.480 -11.720 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.500 4.560 -8.676 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -14.008 4.627 -9.566 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -12.083 2.449 -10.338 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -12.870 2.287 -8.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -14.160 1.247 -10.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -15.019 2.556 -9.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -14.255 2.712 -11.378 1.00 0.00 H new ATOM 1507 N ILE A 107 -10.052 6.434 -7.819 1.00 0.00 N ATOM 1508 CA ILE A 107 -10.485 6.895 -6.511 1.00 0.00 C ATOM 1509 C ILE A 107 -10.932 8.354 -6.612 1.00 0.00 C ATOM 1510 O ILE A 107 -11.845 8.777 -5.905 1.00 0.00 O ATOM 1511 CB ILE A 107 -9.390 6.657 -5.470 1.00 0.00 C ATOM 1512 CG1 ILE A 107 -9.883 7.013 -4.066 1.00 0.00 C ATOM 1513 CG2 ILE A 107 -8.111 7.411 -5.837 1.00 0.00 C ATOM 1514 CD1 ILE A 107 -9.892 5.780 -3.159 1.00 0.00 C ATOM 0 H ILE A 107 -9.214 5.853 -7.811 1.00 0.00 H new ATOM 0 HA ILE A 107 -11.346 6.321 -6.170 1.00 0.00 H new ATOM 0 HB ILE A 107 -9.147 5.595 -5.466 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -9.241 7.781 -3.635 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -10.887 7.433 -4.125 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -7.349 7.224 -5.080 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -7.751 7.067 -6.807 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -8.320 8.480 -5.886 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -10.246 6.061 -2.167 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -10.554 5.023 -3.580 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -8.882 5.377 -3.083 1.00 0.00 H new ATOM 1525 N THR A 108 -10.267 9.084 -7.496 1.00 0.00 N ATOM 1526 CA THR A 108 -10.585 10.487 -7.698 1.00 0.00 C ATOM 1527 C THR A 108 -10.614 10.818 -9.192 1.00 0.00 C ATOM 1528 O THR A 108 -11.577 11.407 -9.682 1.00 0.00 O ATOM 1529 CB THR A 108 -9.570 11.320 -6.912 1.00 0.00 C ATOM 1530 OG1 THR A 108 -9.428 10.620 -5.679 1.00 0.00 O ATOM 1531 CG2 THR A 108 -10.124 12.686 -6.504 1.00 0.00 C ATOM 0 H THR A 108 -9.510 8.730 -8.080 1.00 0.00 H new ATOM 0 HA THR A 108 -11.581 10.724 -7.325 1.00 0.00 H new ATOM 0 HB THR A 108 -8.671 11.458 -7.513 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.786 11.091 -5.108 1.00 0.00 H new ATOM 0 HG21 THR A 108 -9.364 13.236 -5.949 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.400 13.248 -7.396 1.00 0.00 H new ATOM 0 HG23 THR A 108 -11.004 12.549 -5.875 1.00 0.00 H new ATOM 1539 N ASP A 109 -9.550 10.423 -9.873 1.00 0.00 N ATOM 1540 CA ASP A 109 -9.441 10.670 -11.302 1.00 0.00 C ATOM 1541 C ASP A 109 -10.804 10.442 -11.959 1.00 0.00 C ATOM 1542 O ASP A 109 -11.415 11.379 -12.471 1.00 0.00 O ATOM 1543 CB ASP A 109 -8.438 9.715 -11.951 1.00 0.00 C ATOM 1544 CG ASP A 109 -9.015 8.817 -13.047 1.00 0.00 C ATOM 1545 OD1 ASP A 109 -10.036 8.142 -12.849 1.00 0.00 O ATOM 1546 OD2 ASP A 109 -8.363 8.828 -14.161 1.00 0.00 O ATOM 0 H ASP A 109 -8.755 9.933 -9.463 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.104 11.697 -11.442 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -7.623 10.302 -12.375 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -8.006 9.083 -11.175 1.00 0.00 H new